(6Z)-6-benzylidene-N-(4-phenylphenyl)-5H-benzo[a]anthracen-2-amine

C37H27N — CID 129179087

IUPAC(6Z)-6-benzylidene-N-(4-phenylphenyl)-5H-benzo[a]anthracen-2-amine
SMILESC(=C1/Cc2ccc(Nc3ccc(-c4ccccc4)cc3)cc2-c2cc3ccccc3cc21)\c1ccccc1
InChIInChI=1S/C37H27N/c1-3-9-26(10-4-1)21-32-22-31-17-20-34(38-33-18-15-28(16-19-33)27-11-5-2-6-12-27)25-36(31)37-24-30-14-8-7-13-29(30)23-35(32)37/h1-21,23-25,38H,22H2/b32-21-
InChIKeyQOYPYZNAZWATGV-QXPFVDMISA-N
MW485.63 g/mol
LogP10.01
Rot. Bonds4

About (6Z)-6-benzylidene-N-(4-phenylphenyl)-5H-benzo[a]anthracen-2-amine

(6Z)-6-benzylidene-N-(4-phenylphenyl)-5H-benzo[a]anthracen-2-amine (PubChem CID 129179087) has the molecular formula C37H27N and a molecular weight of 485.63 g/mol. Its IUPAC name is (6Z)-6-benzylidene-N-(4-phenylphenyl)-5H-benzo[a]anthracen-2-amine.

Molecular Properties

Compound Name(6Z)-6-benzylidene-N-(4-phenylphenyl)-5H-benzo[a]anthracen-2-amine
PubChem CID129179087
Molecular FormulaC37H27N
Molecular Weight485.63 g/mol
Exact Mass485.21
IUPAC Name(6Z)-6-benzylidene-N-(4-phenylphenyl)-5H-benzo[a]anthracen-2-amine
SMILESC(=C1/Cc2ccc(Nc3ccc(-c4ccccc4)cc3)cc2-c2cc3ccccc3cc21)\c1ccccc1
InChIInChI=1S/C37H27N/c1-3-9-26(10-4-1)21-32-22-31-17-20-34(38-33-18-15-28(16-19-33)27-11-5-2-6-12-27)25-36(31)37-24-30-14-8-7-13-29(30)23-35(32)37/h1-21,23-25,38H,22H2/b32-21-
InChIKeyQOYPYZNAZWATGV-QXPFVDMISA-N
XLogP10.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 510.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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CID 142294472
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CID 166769723
N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 130271446
4-phenanthren-9-yl-N,3-diphenylaniline
CID 177300609
3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 166769727
6-phenanthren-9-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 169007580
1-N-phenyl-4-N-(5-phenyl-7-azabicyclo[4.1.0]hepta-1,3,5-trien-3-yl)benzene-1,4-diamine
CID 22156545
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-benzylidene-N-(4-phenylphenyl)-5H-benzo[a]anthracen-2-amine?
The IUPAC name of (6Z)-6-benzylidene-N-(4-phenylphenyl)-5H-benzo[a]anthracen-2-amine (CID 129179087) is (6Z)-6-benzylidene-N-(4-phenylphenyl)-5H-benzo[a]anthracen-2-amine.
What is the SMILES notation for (6Z)-6-benzylidene-N-(4-phenylphenyl)-5H-benzo[a]anthracen-2-amine?
The canonical SMILES for (6Z)-6-benzylidene-N-(4-phenylphenyl)-5H-benzo[a]anthracen-2-amine is C(=C1/Cc2ccc(Nc3ccc(-c4ccccc4)cc3)cc2-c2cc3ccccc3cc21)\c1ccccc1.
What is the InChIKey of (6Z)-6-benzylidene-N-(4-phenylphenyl)-5H-benzo[a]anthracen-2-amine?
The InChIKey is QOYPYZNAZWATGV-QXPFVDMISA-N. The full InChI is InChI=1S/C37H27N/c1-3-9-26(10-4-1)21-32-22-31-17-20-34(38-33-18-15-28(16-19-33)27-11-5-2-6-12-27)25-36(31)37-24-30-14-8-7-13-29(30)23-35(32)37/h1-21,23-25,38H,22H2/b32-21-.
What are the key properties of (6Z)-6-benzylidene-N-(4-phenylphenyl)-5H-benzo[a]anthracen-2-amine?
(6Z)-6-benzylidene-N-(4-phenylphenyl)-5H-benzo[a]anthracen-2-amine has a molecular weight of 485.63 g/mol, XLogP of 10.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-benzylidene-N-(4-phenylphenyl)-5H-benzo[a]anthracen-2-amine is sourced from PubChem (CID 129179087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).