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Home > Indoles and Oxindole > 93894-31-6
93894-31-6 | 1,1'-[2-METHYL-3-(PENT-2-ENYL)-2-CYCLOPENTEN-1-YLIDENE]BIS(1H-INDOLE)
CAS No: 93894-31-6 Catalog No: AG006BNI MDL No:
Product Description
Catalog Number:
AG006BNI
Chemical Name:
1,1'-[2-METHYL-3-(PENT-2-ENYL)-2-CYCLOPENTEN-1-YLIDENE]BIS(1H-INDOLE)
CAS Number:
93894-31-6
Molecular Formula:
C27H28N2
Molecular Weight:
380.5246
IUPAC Name:
1-[1-indol-1-yl-2-methyl-3-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]indole
InChI:
InChI=1S/C27H28N2/c1-3-4-5-10-22-15-18-27(21(22)2,28-19-16-23-11-6-8-13-25(23)28)29-20-17-24-12-7-9-14-26(24)29/h4-9,11-14,16-17,19-20H,3,10,15,18H2,1-2H3/b5-4+
InChI Key:
VLBFAFALCBOIEQ-SNAWJCMRSA-N
SMILES:
CCC=CCC1=C(C)C(CC1)(n1ccc2c1cccc2)n1ccc2c1cccc2
EC Number:
299-728-1
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
380.225g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.535g/mol
Monoisotopic Mass:
380.225g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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