1-N,3-N-dimethyl-3-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-2,4-dien-1-yl]benzene-1,3-diamine

C30H29N3 — CID 143963656

IUPAC1-N,3-N-dimethyl-3-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-2,4-dien-1-yl]benzene-1,3-diamine
SMILESCNc1cccc(N(C)C2C=CC(N(c3ccccc3)c3ccc4ccccc4c3)=CC2)c1
InChIInChI=1S/C30H29N3/c1-31-25-11-8-14-29(22-25)32(2)26-17-19-28(20-18-26)33(27-12-4-3-5-13-27)30-16-15-23-9-6-7-10-24(23)21-30/h3-17,19-22,26,31H,18H2,1-2H3
InChIKeyYPMKEUOIEROMOX-UHFFFAOYSA-N
MW431.58 g/mol
LogP7.37
Rot. Bonds6

About 1-N,3-N-dimethyl-3-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-2,4-dien-1-yl]benzene-1,3-diamine

1-N,3-N-dimethyl-3-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-2,4-dien-1-yl]benzene-1,3-diamine (PubChem CID 143963656) has the molecular formula C30H29N3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 1-N,3-N-dimethyl-3-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-2,4-dien-1-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dimethyl-3-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-2,4-dien-1-yl]benzene-1,3-diamine
PubChem CID143963656
Molecular FormulaC30H29N3
Molecular Weight431.58 g/mol
Exact Mass431.24
IUPAC Name1-N,3-N-dimethyl-3-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-2,4-dien-1-yl]benzene-1,3-diamine
SMILESCNc1cccc(N(C)C2C=CC(N(c3ccccc3)c3ccc4ccccc4c3)=CC2)c1
InChIInChI=1S/C30H29N3/c1-31-25-11-8-14-29(22-25)32(2)26-17-19-28(20-18-26)33(27-12-4-3-5-13-27)30-16-15-23-9-6-7-10-24(23)21-30/h3-17,19-22,26,31H,18H2,1-2H3
InChIKeyYPMKEUOIEROMOX-UHFFFAOYSA-N
XLogP7.37
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,3-N-dimethyl-3-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-2,4-dien-1-yl]benzene-1,3-diamine 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

1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 166657814
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
N-[4-(4-anilinophenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 22389712
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[N-(5,6-dihydronaphthalen-2-yl)anilino]phenyl]-1-N-naphthalen-2-yl-4-N-[4-(N-naphthalen-2-ylanilino)phenyl]benzene-1,4-diamine
CID 167036999
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117041101
1-N,1-N-bis[4-methyl-4-(N-naphthalen-2-ylanilino)cyclohexa-1,5-dien-1-yl]-4-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine
CID 167227071
N-methyl-N-[3-methyl-4-[4-(N-naphthalen-2-yl-3-phenylanilino)phenyl]cyclohexa-1,5-dien-1-yl]anthracen-2-amine
CID 88987275
N-[4-[4-[cyclohex-3-en-1-yl(7,8-dihydronaphthalen-2-yl)amino]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N-phenylnaphthalen-2-amine
CID 166686426
N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)cyclohexa-1,5-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 70885931

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dimethyl-3-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-2,4-dien-1-yl]benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-dimethyl-3-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-2,4-dien-1-yl]benzene-1,3-diamine (CID 143963656) is 1-N,3-N-dimethyl-3-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-2,4-dien-1-yl]benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dimethyl-3-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-2,4-dien-1-yl]benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-dimethyl-3-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-2,4-dien-1-yl]benzene-1,3-diamine is CNc1cccc(N(C)C2C=CC(N(c3ccccc3)c3ccc4ccccc4c3)=CC2)c1.
What is the InChIKey of 1-N,3-N-dimethyl-3-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-2,4-dien-1-yl]benzene-1,3-diamine?
The InChIKey is YPMKEUOIEROMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3/c1-31-25-11-8-14-29(22-25)32(2)26-17-19-28(20-18-26)33(27-12-4-3-5-13-27)30-16-15-23-9-6-7-10-24(23)21-30/h3-17,19-22,26,31H,18H2,1-2H3.
What are the key properties of 1-N,3-N-dimethyl-3-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-2,4-dien-1-yl]benzene-1,3-diamine?
1-N,3-N-dimethyl-3-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-2,4-dien-1-yl]benzene-1,3-diamine has a molecular weight of 431.58 g/mol, XLogP of 7.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dimethyl-3-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-2,4-dien-1-yl]benzene-1,3-diamine is sourced from PubChem (CID 143963656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).