N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-9-[3-methyl-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-2-amine

C51H46N2 — CID 167046046

IUPACN-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-9-[3-methyl-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-2-amine
SMILESCC1C=C(c2ccc(C3C=CC(n4c5ccccc5c5ccc(N(c6ccccc6)c6ccc(C7C=CC=CC7C)cc6)cc54)=CC3C)cc2)C=CC1
InChIInChI=1S/C51H46N2/c1-35-12-11-14-41(32-35)38-20-22-39(23-21-38)47-30-28-44(33-37(47)3)53-50-19-10-9-18-48(50)49-31-29-45(34-51(49)53)52(42-15-5-4-6-16-42)43-26-24-40(25-27-43)46-17-8-7-13-36(46)2/h4-11,13-37,46-47H,12H2,1-3H3
InChIKeyVZCJZGGZMCNASS-UHFFFAOYSA-N
MW686.94 g/mol
LogP13.92
Rot. Bonds7

About N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-9-[3-methyl-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-2-amine

N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-9-[3-methyl-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-2-amine (PubChem CID 167046046) has the molecular formula C51H46N2 and a molecular weight of 686.94 g/mol. Its IUPAC name is N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-9-[3-methyl-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-9-[3-methyl-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-2-amine
PubChem CID167046046
Molecular FormulaC51H46N2
Molecular Weight686.94 g/mol
Exact Mass686.37
IUPAC NameN-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-9-[3-methyl-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-2-amine
SMILESCC1C=C(c2ccc(C3C=CC(n4c5ccccc5c5ccc(N(c6ccccc6)c6ccc(C7C=CC=CC7C)cc6)cc54)=CC3C)cc2)C=CC1
InChIInChI=1S/C51H46N2/c1-35-12-11-14-41(32-35)38-20-22-39(23-21-38)47-30-28-44(33-37(47)3)53-50-19-10-9-18-48(50)49-31-29-45(34-51(49)53)52(42-15-5-4-6-16-42)43-26-24-40(25-27-43)46-17-8-7-13-36(46)2/h4-11,13-37,46-47H,12H2,1-3H3
InChIKeyVZCJZGGZMCNASS-UHFFFAOYSA-N
XLogP13.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.94
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-9-[3-methyl-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-2-amine 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-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138737604
N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 130349362
6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine
CID 163478963
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 145077283
N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170099431
N-[4-[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 135159348
9,9-dimethyl-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 144990424
4-(4-carbazol-9-ylphenyl)-N-[4-(4-methyl-3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]-N-phenylaniline
CID 129311772
N-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 163878672
9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 88869766
5-[4-(N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-4-phenylanilino)phenyl]-N,N-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
CID 121275494
N,N,9-triphenyl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-2-amine
CID 130241442

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-9-[3-methyl-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-2-amine?
The IUPAC name of N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-9-[3-methyl-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-2-amine (CID 167046046) is N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-9-[3-methyl-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-2-amine.
What is the SMILES notation for N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-9-[3-methyl-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-2-amine?
The canonical SMILES for N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-9-[3-methyl-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-2-amine is CC1C=C(c2ccc(C3C=CC(n4c5ccccc5c5ccc(N(c6ccccc6)c6ccc(C7C=CC=CC7C)cc6)cc54)=CC3C)cc2)C=CC1.
What is the InChIKey of N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-9-[3-methyl-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-2-amine?
The InChIKey is VZCJZGGZMCNASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H46N2/c1-35-12-11-14-41(32-35)38-20-22-39(23-21-38)47-30-28-44(33-37(47)3)53-50-19-10-9-18-48(50)49-31-29-45(34-51(49)53)52(42-15-5-4-6-16-42)43-26-24-40(25-27-43)46-17-8-7-13-36(46)2/h4-11,13-37,46-47H,12H2,1-3H3.
What are the key properties of N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-9-[3-methyl-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-2-amine?
N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-9-[3-methyl-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-2-amine has a molecular weight of 686.94 g/mol, XLogP of 13.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-9-[3-methyl-4-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-2-amine is sourced from PubChem (CID 167046046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).