N-[4-(3,7-dimethyl-3,4-dihydrobenzo[g]carbazol-8-yl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline

C36H32N2 — CID 144920455

IUPACN-[4-(3,7-dimethyl-3,4-dihydrobenzo[g]carbazol-8-yl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
SMILESCC1C=Cc2c(ccc3c2c2cccc(C4=CC=C(N(c5ccccc5)c5ccccc5)CC4)c2n3C)C1
InChIInChI=1S/C36H32N2/c1-25-16-22-31-27(24-25)19-23-34-35(31)33-15-9-14-32(36(33)37(34)2)26-17-20-30(21-18-26)38(28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-17,19-20,22-23,25H,18,21,24H2,1-2H3
InChIKeyHJLZDYUEIJRSCZ-UHFFFAOYSA-N
MW492.67 g/mol
LogP9.44
Rot. Bonds4

About N-[4-(3,7-dimethyl-3,4-dihydrobenzo[g]carbazol-8-yl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline

N-[4-(3,7-dimethyl-3,4-dihydrobenzo[g]carbazol-8-yl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline (PubChem CID 144920455) has the molecular formula C36H32N2 and a molecular weight of 492.67 g/mol. Its IUPAC name is N-[4-(3,7-dimethyl-3,4-dihydrobenzo[g]carbazol-8-yl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(3,7-dimethyl-3,4-dihydrobenzo[g]carbazol-8-yl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
PubChem CID144920455
Molecular FormulaC36H32N2
Molecular Weight492.67 g/mol
Exact Mass492.26
IUPAC NameN-[4-(3,7-dimethyl-3,4-dihydrobenzo[g]carbazol-8-yl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
SMILESCC1C=Cc2c(ccc3c2c2cccc(C4=CC=C(N(c5ccccc5)c5ccccc5)CC4)c2n3C)C1
InChIInChI=1S/C36H32N2/c1-25-16-22-31-27(24-25)19-23-34-35(31)33-15-9-14-32(36(33)37(34)2)26-17-20-30(21-18-26)38(28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-17,19-20,22-23,25H,18,21,24H2,1-2H3
InChIKeyHJLZDYUEIJRSCZ-UHFFFAOYSA-N
XLogP9.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(3,7-dimethyl-3,4-dihydrobenzo[g]carbazol-8-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

N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine
CID 163884371
N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
CID 143462430
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-methyl-N-phenyl-2,3-dihydrocarbazol-2-amine
CID 88869751
6-N-cyclohexa-1,3-dien-1-yl-6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,24-dimethyl-21-N-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 89104265
6-N-cyclohexa-1,3-dien-1-yl-3,24-dimethyl-6-N,21-N,21-N-triphenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 70923164
4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 70822819
N-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine
CID 166820063
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-N-(7-methyl-6,7-dihydrodibenzothiophen-3-yl)-1-N,3-N,5-N,5-N-tetraphenyl-1-N-[9-phenyl-8-[3-(N-[3-(N-phenylanilino)-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]anilino)phenyl]carbazol-2-yl]benzene-1,3,5-triamine
CID 163835888
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-(9H-fluoren-3-yl)aniline
CID 118963221
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,7-dimethyl-3,4-dihydrobenzo[g]carbazol-8-yl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline?
The IUPAC name of N-[4-(3,7-dimethyl-3,4-dihydrobenzo[g]carbazol-8-yl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline (CID 144920455) is N-[4-(3,7-dimethyl-3,4-dihydrobenzo[g]carbazol-8-yl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline.
What is the SMILES notation for N-[4-(3,7-dimethyl-3,4-dihydrobenzo[g]carbazol-8-yl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline?
The canonical SMILES for N-[4-(3,7-dimethyl-3,4-dihydrobenzo[g]carbazol-8-yl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline is CC1C=Cc2c(ccc3c2c2cccc(C4=CC=C(N(c5ccccc5)c5ccccc5)CC4)c2n3C)C1.
What is the InChIKey of N-[4-(3,7-dimethyl-3,4-dihydrobenzo[g]carbazol-8-yl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline?
The InChIKey is HJLZDYUEIJRSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2/c1-25-16-22-31-27(24-25)19-23-34-35(31)33-15-9-14-32(36(33)37(34)2)26-17-20-30(21-18-26)38(28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-17,19-20,22-23,25H,18,21,24H2,1-2H3.
What are the key properties of N-[4-(3,7-dimethyl-3,4-dihydrobenzo[g]carbazol-8-yl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline?
N-[4-(3,7-dimethyl-3,4-dihydrobenzo[g]carbazol-8-yl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline has a molecular weight of 492.67 g/mol, XLogP of 9.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,7-dimethyl-3,4-dihydrobenzo[g]carbazol-8-yl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline is sourced from PubChem (CID 144920455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).