CAS 26979-27-1 | 9,10-Di(naphthalen-1-yl)anthracene | CAS Number 26979-27-1

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26979-27-1 | 9,10-Di(naphthalen-1-yl)anthracene

CAS No: 26979-27-1 Catalog No: AG003NJF MDL No:MFCD04222155

Product Description

Catalog Number:

AG003NJF

Chemical Name:

9,10-Di(naphthalen-1-yl)anthracene

CAS Number:

26979-27-1

Molecular Formula:

C34H22

Molecular Weight:

430.5385

MDL Number:

MFCD04222155

IUPAC Name:

9,10-dinaphthalen-1-ylanthracene

InChI:

InChI=1S/C34H22/c1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28/h1-22H

InChI Key:

GWNJZSGBZMLRBW-UHFFFAOYSA-N

SMILES:

c1ccc2c(c1)c(c1c(c2c2cccc3c2cccc3)cccc1)c1cccc2c1cccc2

NSC Number:

90485

Properties

Complexity:

598

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

430.172g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

430.55g/mol

Monoisotopic Mass:

430.172g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

10.2

Literature

Title	Journal
anti-9,10-Di(1-naphth-yl)anthracene pyridine disolvate.	Acta crystallographica. Section E, Structure reports online 20091101
Electronic properties of anthracene derivatives for blue light emitting electroluminescent layers in organic light emitting diodes: a density functional theory study.	The journal of physical chemistry. A 20060126