N-[4-[4-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-(4-phenylcyclohex-3-en-1-yl)aniline

C42H44N2 — CID 170020974

IUPACN-[4-[4-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-(4-phenylcyclohex-3-en-1-yl)aniline
SMILESC1=CC2=C(CC1)C1C=CCCC1N2C1C=CC(C2=CCC(N(c3ccccc3)C3CC=C(c4ccccc4)CC3)C=C2)=CC1
InChIInChI=1S/C42H44N2/c1-3-11-31(12-4-1)32-19-25-36(26-20-32)43(35-13-5-2-6-14-35)37-27-21-33(22-28-37)34-23-29-38(30-24-34)44-41-17-9-7-15-39(41)40-16-8-10-18-42(40)44/h1-7,10-15,18-19,21-24,27,29,36-39,41H,8-9,16-17,20,25-26,28,30H2
InChIKeyAWKYLJOOTDCFEC-UHFFFAOYSA-N
MW576.83 g/mol
LogP9.89
Rot. Bonds6

About N-[4-[4-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-(4-phenylcyclohex-3-en-1-yl)aniline

N-[4-[4-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-(4-phenylcyclohex-3-en-1-yl)aniline (PubChem CID 170020974) has the molecular formula C42H44N2 and a molecular weight of 576.83 g/mol. Its IUPAC name is N-[4-[4-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-(4-phenylcyclohex-3-en-1-yl)aniline.

Molecular Properties

Compound NameN-[4-[4-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-(4-phenylcyclohex-3-en-1-yl)aniline
PubChem CID170020974
Molecular FormulaC42H44N2
Molecular Weight576.83 g/mol
Exact Mass576.35
IUPAC NameN-[4-[4-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-(4-phenylcyclohex-3-en-1-yl)aniline
SMILESC1=CC2=C(CC1)C1C=CCCC1N2C1C=CC(C2=CCC(N(c3ccccc3)C3CC=C(c4ccccc4)CC3)C=C2)=CC1
InChIInChI=1S/C42H44N2/c1-3-11-31(12-4-1)32-19-25-36(26-20-32)43(35-13-5-2-6-14-35)37-27-21-33(22-28-37)34-23-29-38(30-24-34)44-41-17-9-7-15-39(41)40-16-8-10-18-42(40)44/h1-7,10-15,18-19,21-24,27,29,36-39,41H,8-9,16-17,20,25-26,28,30H2
InChIKeyAWKYLJOOTDCFEC-UHFFFAOYSA-N
XLogP9.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.83
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-[4-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-(4-phenylcyclohex-3-en-1-yl)aniline 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-[4-(3,4,4a,11b-tetrahydrobenzo[a]carbazol-11-yl)cyclohexa-1,5-dien-1-yl]-N-cyclohexa-1,5-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 166953660
4-[4-(N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 170235681
4-phenyl-N,N-bis(trimethylsilyl)cyclohex-3-en-1-amine
CID 87262698
N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline
CID 129281968
9-[12'-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)spiro[3,4-dihydroxanthene-9,22'-8,14-dioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene]-10'-yl]-3,4-dihydrocarbazole
CID 163525211
9,9-dimethyl-N-[4-(9-phenyl-1,7,8,9a-tetrahydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 167195615
N-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine
CID 170096068
N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline
CID 167135724
(9aR)-7-phenyl-3,6,9,9a-tetrahydroquinolizin-4-one
CID 122205849
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-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-[4-(3,4,10,11-tetrahydro-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]aniline
CID 144907047
N-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 154937816

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-(4-phenylcyclohex-3-en-1-yl)aniline?
The IUPAC name of N-[4-[4-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-(4-phenylcyclohex-3-en-1-yl)aniline (CID 170020974) is N-[4-[4-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-(4-phenylcyclohex-3-en-1-yl)aniline.
What is the SMILES notation for N-[4-[4-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-(4-phenylcyclohex-3-en-1-yl)aniline?
The canonical SMILES for N-[4-[4-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-(4-phenylcyclohex-3-en-1-yl)aniline is C1=CC2=C(CC1)C1C=CCCC1N2C1C=CC(C2=CCC(N(c3ccccc3)C3CC=C(c4ccccc4)CC3)C=C2)=CC1.
What is the InChIKey of N-[4-[4-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-(4-phenylcyclohex-3-en-1-yl)aniline?
The InChIKey is AWKYLJOOTDCFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44N2/c1-3-11-31(12-4-1)32-19-25-36(26-20-32)43(35-13-5-2-6-14-35)37-27-21-33(22-28-37)34-23-29-38(30-24-34)44-41-17-9-7-15-39(41)40-16-8-10-18-42(40)44/h1-7,10-15,18-19,21-24,27,29,36-39,41H,8-9,16-17,20,25-26,28,30H2.
What are the key properties of N-[4-[4-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-(4-phenylcyclohex-3-en-1-yl)aniline?
N-[4-[4-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-(4-phenylcyclohex-3-en-1-yl)aniline has a molecular weight of 576.83 g/mol, XLogP of 9.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,2,4a,5,6,9a-hexahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-(4-phenylcyclohex-3-en-1-yl)aniline is sourced from PubChem (CID 170020974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).