9-[4-[(1R)-cyclohexa-2,4-dien-1-yl]phenyl]-4a-methyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4H-carbazol-2-amine

C49H44N2 — CID 170003580

IUPAC9-[4-[(1R)-cyclohexa-2,4-dien-1-yl]phenyl]-4a-methyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4H-carbazol-2-amine
SMILESCC12CC=C(N(C3=CC=C(C4=CC=C(c5ccccc5)CC4)CC3)c3ccccc3)C=C1N(c1ccc([C@H]3C=CC=CC3)cc1)c1ccccc12
InChIInChI=1S/C49H44N2/c1-49-34-33-45(35-48(49)51(47-20-12-11-19-46(47)49)44-31-27-40(28-32-44)37-15-7-3-8-16-37)50(42-17-9-4-10-18-42)43-29-25-41(26-30-43)39-23-21-38(22-24-39)36-13-5-2-6-14-36/h2-15,17-21,23,25,27-29,31-33,35,37H,16,22,24,26,30,34H2,1H3/t37-,49?/m0/s1
InChIKeyIHUNIMILQSUMNZ-MLVKPUARSA-N
MW660.91 g/mol
LogP12.78
Rot. Bonds7

About 9-[4-[(1R)-cyclohexa-2,4-dien-1-yl]phenyl]-4a-methyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4H-carbazol-2-amine

9-[4-[(1R)-cyclohexa-2,4-dien-1-yl]phenyl]-4a-methyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4H-carbazol-2-amine (PubChem CID 170003580) has the molecular formula C49H44N2 and a molecular weight of 660.91 g/mol. Its IUPAC name is 9-[4-[(1R)-cyclohexa-2,4-dien-1-yl]phenyl]-4a-methyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4H-carbazol-2-amine.

Molecular Properties

Compound Name9-[4-[(1R)-cyclohexa-2,4-dien-1-yl]phenyl]-4a-methyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4H-carbazol-2-amine
PubChem CID170003580
Molecular FormulaC49H44N2
Molecular Weight660.91 g/mol
Exact Mass660.35
IUPAC Name9-[4-[(1R)-cyclohexa-2,4-dien-1-yl]phenyl]-4a-methyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4H-carbazol-2-amine
SMILESCC12CC=C(N(C3=CC=C(C4=CC=C(c5ccccc5)CC4)CC3)c3ccccc3)C=C1N(c1ccc([C@H]3C=CC=CC3)cc1)c1ccccc12
InChIInChI=1S/C49H44N2/c1-49-34-33-45(35-48(49)51(47-20-12-11-19-46(47)49)44-31-27-40(28-32-44)37-15-7-3-8-16-37)50(42-17-9-4-10-18-42)43-29-25-41(26-30-43)39-23-21-38(22-24-39)36-13-5-2-6-14-36/h2-15,17-21,23,25,27-29,31-33,35,37H,16,22,24,26,30,34H2,1H3/t37-,49?/m0/s1
InChIKeyIHUNIMILQSUMNZ-MLVKPUARSA-N
XLogP12.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.91
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[4-[(1R)-cyclohexa-2,4-dien-1-yl]phenyl]-4a-methyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4H-carbazol-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

4-cyclohexa-2,4-dien-1-yl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]aniline
CID 145474495
4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
4-cyclohexa-1,5-dien-1-yl-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-10,10-dimethyl-N-[4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-5,9a-dihydro-4bH-benzo[a]azulen-7-amine
CID 138723851
N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
CID 166978744
4-cyclohexa-2,4-dien-1-yl-N-[4-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,11,15,17,19-octaen-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146648673
10-[4-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylacridine
CID 163739156
4-(7,7-dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-15-yl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
CID 123250154
4-phenyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)cyclohexa-1,3-dien-1-yl]aniline
CID 90201329
10-[4-[1-(4-cyclohexa-2,4-dien-1-ylphenyl)-4,5-dipyridin-2-ylimidazol-2-yl]phenyl]-9,9-dimethylacridine
CID 163749587
N-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)fluoren-2-amine
CID 146509977
4-[4-(3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-4,6,8,15,17-pentaen-11-yl)phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline
CID 156560064
10-[4-[5-cyclohexa-2,4-dien-1-yl-1-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-9,9-dimethylacridine
CID 145050381

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(1R)-cyclohexa-2,4-dien-1-yl]phenyl]-4a-methyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4H-carbazol-2-amine?
The IUPAC name of 9-[4-[(1R)-cyclohexa-2,4-dien-1-yl]phenyl]-4a-methyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4H-carbazol-2-amine (CID 170003580) is 9-[4-[(1R)-cyclohexa-2,4-dien-1-yl]phenyl]-4a-methyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4H-carbazol-2-amine.
What is the SMILES notation for 9-[4-[(1R)-cyclohexa-2,4-dien-1-yl]phenyl]-4a-methyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4H-carbazol-2-amine?
The canonical SMILES for 9-[4-[(1R)-cyclohexa-2,4-dien-1-yl]phenyl]-4a-methyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4H-carbazol-2-amine is CC12CC=C(N(C3=CC=C(C4=CC=C(c5ccccc5)CC4)CC3)c3ccccc3)C=C1N(c1ccc([C@H]3C=CC=CC3)cc1)c1ccccc12.
What is the InChIKey of 9-[4-[(1R)-cyclohexa-2,4-dien-1-yl]phenyl]-4a-methyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4H-carbazol-2-amine?
The InChIKey is IHUNIMILQSUMNZ-MLVKPUARSA-N. The full InChI is InChI=1S/C49H44N2/c1-49-34-33-45(35-48(49)51(47-20-12-11-19-46(47)49)44-31-27-40(28-32-44)37-15-7-3-8-16-37)50(42-17-9-4-10-18-42)43-29-25-41(26-30-43)39-23-21-38(22-24-39)36-13-5-2-6-14-36/h2-15,17-21,23,25,27-29,31-33,35,37H,16,22,24,26,30,34H2,1H3/t37-,49?/m0/s1.
What are the key properties of 9-[4-[(1R)-cyclohexa-2,4-dien-1-yl]phenyl]-4a-methyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4H-carbazol-2-amine?
9-[4-[(1R)-cyclohexa-2,4-dien-1-yl]phenyl]-4a-methyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4H-carbazol-2-amine has a molecular weight of 660.91 g/mol, XLogP of 12.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(1R)-cyclohexa-2,4-dien-1-yl]phenyl]-4a-methyl-N-phenyl-N-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4H-carbazol-2-amine is sourced from PubChem (CID 170003580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).