4-[4-(3-cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,2-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline

C54H50N2 — CID 166953662

IUPAC4-[4-(3-cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,2-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
SMILESC1=CC(C2=Cc3c(n(C4=CC=C(c5ccc(N(c6ccccc6)C6C=CC(c7ccccc7)=CC6)cc5)CC4)c4ccc(C5CC=CCC5)cc34)CC2)=CCC1
InChIInChI=1S/C54H50N2/c1-5-13-39(14-6-1)42-21-29-48(30-22-42)55(47-19-11-4-12-20-47)49-31-23-43(24-32-49)44-25-33-50(34-26-44)56-53-35-27-45(40-15-7-2-8-16-40)37-51(53)52-38-46(28-36-54(52)56)41-17-9-3-10-18-41/h1-2,4-7,9,11-14,17-25,27,29,31-33,35,37-38,40,48H,3,8,10,15-16,26,28,30,34,36H2
InChIKeyIUCMJZCCCLAYQL-UHFFFAOYSA-N
MW727.01 g/mol
LogP14.34
Rot. Bonds8

About 4-[4-(3-cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,2-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline

4-[4-(3-cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,2-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline (PubChem CID 166953662) has the molecular formula C54H50N2 and a molecular weight of 727.01 g/mol. Its IUPAC name is 4-[4-(3-cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,2-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline.

Molecular Properties

Compound Name4-[4-(3-cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,2-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
PubChem CID166953662
Molecular FormulaC54H50N2
Molecular Weight727.01 g/mol
Exact Mass726.40
IUPAC Name4-[4-(3-cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,2-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
SMILESC1=CC(C2=Cc3c(n(C4=CC=C(c5ccc(N(c6ccccc6)C6C=CC(c7ccccc7)=CC6)cc5)CC4)c4ccc(C5CC=CCC5)cc34)CC2)=CCC1
InChIInChI=1S/C54H50N2/c1-5-13-39(14-6-1)42-21-29-48(30-22-42)55(47-19-11-4-12-20-47)49-31-23-43(24-32-49)44-25-33-50(34-26-44)56-53-35-27-45(40-15-7-2-8-16-40)37-51(53)52-38-46(28-36-54(52)56)41-17-9-3-10-18-41/h1-2,4-7,9,11-14,17-25,27,29,31-33,35,37-38,40,48H,3,8,10,15-16,26,28,30,34,36H2
InChIKeyIUCMJZCCCLAYQL-UHFFFAOYSA-N
XLogP14.34
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.01
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[4-(3-cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,2-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline with MolForge

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Related Compounds

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
4-cyclohexa-1,3-dien-1-yl-N-[4-(9-dibenzothiophen-4-yl-7,8-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 163576681
4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline
CID 167211262
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167253427
4-cyclohexa-1,3-dien-1-yl-N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 170131651
9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 146189114
3-cyclohexa-1,5-dien-1-yl-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole
CID 167138282
N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129311306
N-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-4-yl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 167262278
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
N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline
CID 166723421

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,2-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline?
The IUPAC name of 4-[4-(3-cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,2-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline (CID 166953662) is 4-[4-(3-cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,2-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline.
What is the SMILES notation for 4-[4-(3-cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,2-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline?
The canonical SMILES for 4-[4-(3-cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,2-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline is C1=CC(C2=Cc3c(n(C4=CC=C(c5ccc(N(c6ccccc6)C6C=CC(c7ccccc7)=CC6)cc5)CC4)c4ccc(C5CC=CCC5)cc34)CC2)=CCC1.
What is the InChIKey of 4-[4-(3-cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,2-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline?
The InChIKey is IUCMJZCCCLAYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H50N2/c1-5-13-39(14-6-1)42-21-29-48(30-22-42)55(47-19-11-4-12-20-47)49-31-23-43(24-32-49)44-25-33-50(34-26-44)56-53-35-27-45(40-15-7-2-8-16-40)37-51(53)52-38-46(28-36-54(52)56)41-17-9-3-10-18-41/h1-2,4-7,9,11-14,17-25,27,29,31-33,35,37-38,40,48H,3,8,10,15-16,26,28,30,34,36H2.
What are the key properties of 4-[4-(3-cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,2-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline?
4-[4-(3-cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,2-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline has a molecular weight of 727.01 g/mol, XLogP of 14.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-cyclohexa-1,5-dien-1-yl-6-cyclohex-3-en-1-yl-1,2-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline is sourced from PubChem (CID 166953662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).