N-[4-[2-[4-(3,4,4a,11c-tetrahydrobenzo[c]carbazol-7-yl)phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-(4-phenylphenyl)aniline

C58H48N2 — CID 139339428

IUPACN-[4-[2-[4-(3,4,4a,11c-tetrahydrobenzo[c]carbazol-7-yl)phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-(4-phenylphenyl)aniline
SMILESC1=CCC(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4ccc(-n5c6c(c7ccccc75)C5C=CCCC5C=C6)cc4)cc3)cc2)CC1
InChIInChI=1S/C58H48N2/c1-3-13-41(14-4-1)43-23-32-48(33-24-43)59(49-34-25-44(26-35-49)42-15-5-2-6-16-42)50-36-27-46(28-37-50)52-18-9-10-19-53(52)47-29-38-51(39-30-47)60-56-22-12-11-21-55(56)58-54-20-8-7-17-45(54)31-40-57(58)60/h1-5,8-14,18-40,42,45,54H,6-7,15-17H2
InChIKeyQKCZHNKEIRPXQK-UHFFFAOYSA-N
MW773.04 g/mol
LogP16.00
Rot. Bonds8

About N-[4-[2-[4-(3,4,4a,11c-tetrahydrobenzo[c]carbazol-7-yl)phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-(4-phenylphenyl)aniline

N-[4-[2-[4-(3,4,4a,11c-tetrahydrobenzo[c]carbazol-7-yl)phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-(4-phenylphenyl)aniline (PubChem CID 139339428) has the molecular formula C58H48N2 and a molecular weight of 773.04 g/mol. Its IUPAC name is N-[4-[2-[4-(3,4,4a,11c-tetrahydrobenzo[c]carbazol-7-yl)phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2-[4-(3,4,4a,11c-tetrahydrobenzo[c]carbazol-7-yl)phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-(4-phenylphenyl)aniline
PubChem CID139339428
Molecular FormulaC58H48N2
Molecular Weight773.04 g/mol
Exact Mass772.38
IUPAC NameN-[4-[2-[4-(3,4,4a,11c-tetrahydrobenzo[c]carbazol-7-yl)phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-(4-phenylphenyl)aniline
SMILESC1=CCC(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4ccc(-n5c6c(c7ccccc75)C5C=CCCC5C=C6)cc4)cc3)cc2)CC1
InChIInChI=1S/C58H48N2/c1-3-13-41(14-4-1)43-23-32-48(33-24-43)59(49-34-25-44(26-35-49)42-15-5-2-6-16-42)50-36-27-46(28-37-50)52-18-9-10-19-53(52)47-29-38-51(39-30-47)60-56-22-12-11-21-55(56)58-54-20-8-7-17-45(54)31-40-57(58)60/h1-5,8-14,18-40,42,45,54H,6-7,15-17H2
InChIKeyQKCZHNKEIRPXQK-UHFFFAOYSA-N
XLogP16.00
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.04
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine
CID 138510419
N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028413
3-[(4S)-4-methyl-9-(4-phenylphenyl)-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 174110726
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502154
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline
CID 121403668
N,N-diphenyl-4-[4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]phenyl]aniline
CID 121403671
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(3,4,4a,11c-tetrahydrobenzo[c]carbazol-7-yl)phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[2-[4-(3,4,4a,11c-tetrahydrobenzo[c]carbazol-7-yl)phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-(4-phenylphenyl)aniline (CID 139339428) is N-[4-[2-[4-(3,4,4a,11c-tetrahydrobenzo[c]carbazol-7-yl)phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[2-[4-(3,4,4a,11c-tetrahydrobenzo[c]carbazol-7-yl)phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[2-[4-(3,4,4a,11c-tetrahydrobenzo[c]carbazol-7-yl)phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-(4-phenylphenyl)aniline is C1=CCC(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4ccc(-n5c6c(c7ccccc75)C5C=CCCC5C=C6)cc4)cc3)cc2)CC1.
What is the InChIKey of N-[4-[2-[4-(3,4,4a,11c-tetrahydrobenzo[c]carbazol-7-yl)phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-(4-phenylphenyl)aniline?
The InChIKey is QKCZHNKEIRPXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N2/c1-3-13-41(14-4-1)43-23-32-48(33-24-43)59(49-34-25-44(26-35-49)42-15-5-2-6-16-42)50-36-27-46(28-37-50)52-18-9-10-19-53(52)47-29-38-51(39-30-47)60-56-22-12-11-21-55(56)58-54-20-8-7-17-45(54)31-40-57(58)60/h1-5,8-14,18-40,42,45,54H,6-7,15-17H2.
What are the key properties of N-[4-[2-[4-(3,4,4a,11c-tetrahydrobenzo[c]carbazol-7-yl)phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-(4-phenylphenyl)aniline?
N-[4-[2-[4-(3,4,4a,11c-tetrahydrobenzo[c]carbazol-7-yl)phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-(4-phenylphenyl)aniline has a molecular weight of 773.04 g/mol, XLogP of 16.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(3,4,4a,11c-tetrahydrobenzo[c]carbazol-7-yl)phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 139339428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).