200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 874948-44-4
874948-44-4 | 21H,23H-PORPHINE, 5,10-BIS(4-METHYLPHENYL)-15,20-DIPENTYL-
CAS No: 874948-44-4 Catalog No: AG004I1I MDL No:
Product Description
Catalog Number:
AG004I1I
Chemical Name:
21H,23H-PORPHINE, 5,10-BIS(4-METHYLPHENYL)-15,20-DIPENTYL-
CAS Number:
874948-44-4
Molecular Formula:
C44H46N4
Molecular Weight:
630.8628
IUPAC Name:
5,10-bis(4-methylphenyl)-15,20-dipentyl-21,22-dihydroporphyrin
InChI:
InChI=1S/C44H46N4/c1-5-7-9-11-33-35-21-22-36(45-35)34(12-10-8-6-2)38-24-26-40(47-38)44(32-19-15-30(4)16-20-32)42-28-27-41(48-42)43(39-25-23-37(33)46-39)31-17-13-29(3)14-18-31/h13-28,46,48H,5-12H2,1-4H3
InChI Key:
YCMGECNVDHTXFS-UHFFFAOYSA-N
SMILES:
CCCCCC1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccc(cc1)C)C=C3)c1ccc(cc1)C)[nH]2)CCCCC
Properties
Complexity:
954
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
630.372g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
630.88g/mol
Monoisotopic Mass:
630.372g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.