N-[4-[4-[N-[(3-methylcyclohepta-1,6-dien-1-yl)methyl]anilino]cyclohexa-2,4-dien-1-yl]phenyl]-N-(3-methylphenyl)cyclohepta-1,3,4,6-tetraen-1-amine

C41H40N2 — CID 170097735

IUPACN-[4-[4-[N-[(3-methylcyclohepta-1,6-dien-1-yl)methyl]anilino]cyclohexa-2,4-dien-1-yl]phenyl]-N-(3-methylphenyl)cyclohepta-1,3,4,6-tetraen-1-amine
SMILESCc1cccc(N(C2=CC=C=CC=C2)c2ccc(C3C=CC(N(CC4=CC(C)CCC=C4)c4ccccc4)=CC3)cc2)c1
InChIInChI=1S/C41H40N2/c1-32-13-10-11-15-34(29-32)31-42(37-16-8-5-9-17-37)38-25-21-35(22-26-38)36-23-27-40(28-24-36)43(39-18-6-3-4-7-19-39)41-20-12-14-33(2)30-41/h3,5-9,11-12,14-21,23-30,32,35H,10,13,22,31H2,1-2H3
InChIKeyGLQNRHMTGLODQE-UHFFFAOYSA-N
MW560.79 g/mol
LogP10.64
Rot. Bonds8

About N-[4-[4-[N-[(3-methylcyclohepta-1,6-dien-1-yl)methyl]anilino]cyclohexa-2,4-dien-1-yl]phenyl]-N-(3-methylphenyl)cyclohepta-1,3,4,6-tetraen-1-amine

N-[4-[4-[N-[(3-methylcyclohepta-1,6-dien-1-yl)methyl]anilino]cyclohexa-2,4-dien-1-yl]phenyl]-N-(3-methylphenyl)cyclohepta-1,3,4,6-tetraen-1-amine (PubChem CID 170097735) has the molecular formula C41H40N2 and a molecular weight of 560.79 g/mol. Its IUPAC name is N-[4-[4-[N-[(3-methylcyclohepta-1,6-dien-1-yl)methyl]anilino]cyclohexa-2,4-dien-1-yl]phenyl]-N-(3-methylphenyl)cyclohepta-1,3,4,6-tetraen-1-amine.

Molecular Properties

Compound NameN-[4-[4-[N-[(3-methylcyclohepta-1,6-dien-1-yl)methyl]anilino]cyclohexa-2,4-dien-1-yl]phenyl]-N-(3-methylphenyl)cyclohepta-1,3,4,6-tetraen-1-amine
PubChem CID170097735
Molecular FormulaC41H40N2
Molecular Weight560.79 g/mol
Exact Mass560.32
IUPAC NameN-[4-[4-[N-[(3-methylcyclohepta-1,6-dien-1-yl)methyl]anilino]cyclohexa-2,4-dien-1-yl]phenyl]-N-(3-methylphenyl)cyclohepta-1,3,4,6-tetraen-1-amine
SMILESCc1cccc(N(C2=CC=C=CC=C2)c2ccc(C3C=CC(N(CC4=CC(C)CCC=C4)c4ccccc4)=CC3)cc2)c1
InChIInChI=1S/C41H40N2/c1-32-13-10-11-15-34(29-32)31-42(37-16-8-5-9-17-37)38-25-21-35(22-26-38)36-23-27-40(28-24-36)43(39-18-6-3-4-7-19-39)41-20-12-14-33(2)30-41/h3,5-9,11-12,14-21,23-30,32,35H,10,13,22,31H2,1-2H3
InChIKeyGLQNRHMTGLODQE-UHFFFAOYSA-N
XLogP10.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.79
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-[N-[(3-methylcyclohepta-1,6-dien-1-yl)methyl]anilino]cyclohexa-2,4-dien-1-yl]phenyl]-N-(3-methylphenyl)cyclohepta-1,3,4,6-tetraen-1-amine with MolForge

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Related Compounds

N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline
CID 118554549
3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline
CID 166906979
1-N-cyclohexa-2,4-dien-1-yl-4-N-[4-(N-cyclohexa-1,5-dien-1-yl-3-methylanilino)phenyl]-1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 140938297
3-methyl-N-[4-[4-(N-(5-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohex-3-en-1-yl]phenyl]-N-phenylaniline
CID 70831058
1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(N-hepta-1,5-dien-2-ylanilino)phenyl]-1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 123929394
3-methyl-N-(5-methylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 89375037
9-(4-methylphenyl)-10-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N,2-N,6-N-tris(4-phenylphenyl)anthracene-2,6-diamine
CID 59766431
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 167114371
N-[4-[4-[4-[4-[cyclohexa-2,4-dien-1-yl-(4-phenylcyclohexa-1,5-dien-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-phenylaniline
CID 155274085
4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
CID 144660511
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline
CID 155307171
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)anilino)phenyl]phenyl]aniline
CID 170063875

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[N-[(3-methylcyclohepta-1,6-dien-1-yl)methyl]anilino]cyclohexa-2,4-dien-1-yl]phenyl]-N-(3-methylphenyl)cyclohepta-1,3,4,6-tetraen-1-amine?
The IUPAC name of N-[4-[4-[N-[(3-methylcyclohepta-1,6-dien-1-yl)methyl]anilino]cyclohexa-2,4-dien-1-yl]phenyl]-N-(3-methylphenyl)cyclohepta-1,3,4,6-tetraen-1-amine (CID 170097735) is N-[4-[4-[N-[(3-methylcyclohepta-1,6-dien-1-yl)methyl]anilino]cyclohexa-2,4-dien-1-yl]phenyl]-N-(3-methylphenyl)cyclohepta-1,3,4,6-tetraen-1-amine.
What is the SMILES notation for N-[4-[4-[N-[(3-methylcyclohepta-1,6-dien-1-yl)methyl]anilino]cyclohexa-2,4-dien-1-yl]phenyl]-N-(3-methylphenyl)cyclohepta-1,3,4,6-tetraen-1-amine?
The canonical SMILES for N-[4-[4-[N-[(3-methylcyclohepta-1,6-dien-1-yl)methyl]anilino]cyclohexa-2,4-dien-1-yl]phenyl]-N-(3-methylphenyl)cyclohepta-1,3,4,6-tetraen-1-amine is Cc1cccc(N(C2=CC=C=CC=C2)c2ccc(C3C=CC(N(CC4=CC(C)CCC=C4)c4ccccc4)=CC3)cc2)c1.
What is the InChIKey of N-[4-[4-[N-[(3-methylcyclohepta-1,6-dien-1-yl)methyl]anilino]cyclohexa-2,4-dien-1-yl]phenyl]-N-(3-methylphenyl)cyclohepta-1,3,4,6-tetraen-1-amine?
The InChIKey is GLQNRHMTGLODQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40N2/c1-32-13-10-11-15-34(29-32)31-42(37-16-8-5-9-17-37)38-25-21-35(22-26-38)36-23-27-40(28-24-36)43(39-18-6-3-4-7-19-39)41-20-12-14-33(2)30-41/h3,5-9,11-12,14-21,23-30,32,35H,10,13,22,31H2,1-2H3.
What are the key properties of N-[4-[4-[N-[(3-methylcyclohepta-1,6-dien-1-yl)methyl]anilino]cyclohexa-2,4-dien-1-yl]phenyl]-N-(3-methylphenyl)cyclohepta-1,3,4,6-tetraen-1-amine?
N-[4-[4-[N-[(3-methylcyclohepta-1,6-dien-1-yl)methyl]anilino]cyclohexa-2,4-dien-1-yl]phenyl]-N-(3-methylphenyl)cyclohepta-1,3,4,6-tetraen-1-amine has a molecular weight of 560.79 g/mol, XLogP of 10.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[N-[(3-methylcyclohepta-1,6-dien-1-yl)methyl]anilino]cyclohexa-2,4-dien-1-yl]phenyl]-N-(3-methylphenyl)cyclohepta-1,3,4,6-tetraen-1-amine is sourced from PubChem (CID 170097735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).