3-methyl-N-[4-[3-[4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dihydropyridin-6-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline

C43H39N3 — CID 90898964

IUPAC3-methyl-N-[4-[3-[4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dihydropyridin-6-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline
SMILESCc1cccc(N(C2=CC=C(C3=NCC(c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4)=CC3)CC2)c2ccccc2)c1
InChIInChI=1S/C43H39N3/c1-32-11-9-17-41(29-32)45(37-13-5-3-6-14-37)39-24-19-34(20-25-39)36-23-28-43(44-31-36)35-21-26-40(27-22-35)46(38-15-7-4-8-16-38)42-18-10-12-33(2)30-42/h3-21,23-26,29-30H,22,27-28,31H2,1-2H3
InChIKeyMMQKMJXTLJFXGH-UHFFFAOYSA-N
MW597.81 g/mol
LogP11.44
Rot. Bonds8

About 3-methyl-N-[4-[3-[4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dihydropyridin-6-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline

3-methyl-N-[4-[3-[4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dihydropyridin-6-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline (PubChem CID 90898964) has the molecular formula C43H39N3 and a molecular weight of 597.81 g/mol. Its IUPAC name is 3-methyl-N-[4-[3-[4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dihydropyridin-6-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline.

Molecular Properties

Compound Name3-methyl-N-[4-[3-[4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dihydropyridin-6-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline
PubChem CID90898964
Molecular FormulaC43H39N3
Molecular Weight597.81 g/mol
Exact Mass597.31
IUPAC Name3-methyl-N-[4-[3-[4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dihydropyridin-6-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline
SMILESCc1cccc(N(C2=CC=C(C3=NCC(c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4)=CC3)CC2)c2ccccc2)c1
InChIInChI=1S/C43H39N3/c1-32-11-9-17-41(29-32)45(37-13-5-3-6-14-37)39-24-19-34(20-25-39)36-23-28-43(44-31-36)35-21-26-40(27-22-35)46(38-15-7-4-8-16-38)42-18-10-12-33(2)30-42/h3-21,23-26,29-30H,22,27-28,31H2,1-2H3
InChIKeyMMQKMJXTLJFXGH-UHFFFAOYSA-N
XLogP11.44
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.81
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[4-[3-[4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dihydropyridin-6-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 89122821
3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-N-phenylaniline
CID 70917236
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 138636998
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
N-phenyl-4-[4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 156569222
1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 89035334
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 163825477
4-methyl-N-[4-[4-(N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]-N-phenylaniline
CID 70809771

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[3-[4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dihydropyridin-6-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline?
The IUPAC name of 3-methyl-N-[4-[3-[4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dihydropyridin-6-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline (CID 90898964) is 3-methyl-N-[4-[3-[4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dihydropyridin-6-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline.
What is the SMILES notation for 3-methyl-N-[4-[3-[4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dihydropyridin-6-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline?
The canonical SMILES for 3-methyl-N-[4-[3-[4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dihydropyridin-6-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline is Cc1cccc(N(C2=CC=C(C3=NCC(c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4)=CC3)CC2)c2ccccc2)c1.
What is the InChIKey of 3-methyl-N-[4-[3-[4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dihydropyridin-6-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline?
The InChIKey is MMQKMJXTLJFXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39N3/c1-32-11-9-17-41(29-32)45(37-13-5-3-6-14-37)39-24-19-34(20-25-39)36-23-28-43(44-31-36)35-21-26-40(27-22-35)46(38-15-7-4-8-16-38)42-18-10-12-33(2)30-42/h3-21,23-26,29-30H,22,27-28,31H2,1-2H3.
What are the key properties of 3-methyl-N-[4-[3-[4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dihydropyridin-6-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline?
3-methyl-N-[4-[3-[4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dihydropyridin-6-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline has a molecular weight of 597.81 g/mol, XLogP of 11.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[3-[4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dihydropyridin-6-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline is sourced from PubChem (CID 90898964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).