N-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline

C58H42N2 — CID 166659661

IUPACN-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline
SMILESC1=CC(c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5cccc6c5c5cc7ccccc7cc5n6-c5ccccc5)c4)cc3)cc2)=CCC1
InChIInChI=1S/C58H42N2/c1-4-15-41(16-5-1)43-29-31-44(32-30-43)45-33-35-51(36-34-45)59(52-25-12-21-46(37-52)42-17-6-2-7-18-42)53-26-13-22-49(38-53)54-27-14-28-56-58(54)55-39-47-19-10-11-20-48(47)40-57(55)60(56)50-23-8-3-9-24-50/h2-4,6-40H,1,5H2
InChIKeyLXVIIUYYIVDPEE-UHFFFAOYSA-N
MW766.99 g/mol
LogP16.14
Rot. Bonds8

About N-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline

N-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline (PubChem CID 166659661) has the molecular formula C58H42N2 and a molecular weight of 766.99 g/mol. Its IUPAC name is N-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline
PubChem CID166659661
Molecular FormulaC58H42N2
Molecular Weight766.99 g/mol
Exact Mass766.33
IUPAC NameN-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline
SMILESC1=CC(c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5cccc6c5c5cc7ccccc7cc5n6-c5ccccc5)c4)cc3)cc2)=CCC1
InChIInChI=1S/C58H42N2/c1-4-15-41(16-5-1)43-29-31-44(32-30-43)45-33-35-51(36-34-45)59(52-25-12-21-46(37-52)42-17-6-2-7-18-42)53-26-13-22-49(38-53)54-27-14-28-56-58(54)55-39-47-19-10-11-20-48(47)40-57(55)60(56)50-23-8-3-9-24-50/h2-4,6-40H,1,5H2
InChIKeyLXVIIUYYIVDPEE-UHFFFAOYSA-N
XLogP16.14
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.99
LogP ≤ 516.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166659718
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 167196209
N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166659728
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660112
5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010271
5-naphthalen-2-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169009775
N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
CID 166660133
N-(4-phenanthren-9-ylphenyl)-3-(5-phenylbenzo[b]carbazol-1-yl)-N-(4-phenylphenyl)aniline
CID 166659742
N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 167195026
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660110
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
CID 166660118
5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169010262

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline?
The IUPAC name of N-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline (CID 166659661) is N-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline.
What is the SMILES notation for N-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline?
The canonical SMILES for N-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline is C1=CC(c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5cccc6c5c5cc7ccccc7cc5n6-c5ccccc5)c4)cc3)cc2)=CCC1.
What is the InChIKey of N-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline?
The InChIKey is LXVIIUYYIVDPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2/c1-4-15-41(16-5-1)43-29-31-44(32-30-43)45-33-35-51(36-34-45)59(52-25-12-21-46(37-52)42-17-6-2-7-18-42)53-26-13-22-49(38-53)54-27-14-28-56-58(54)55-39-47-19-10-11-20-48(47)40-57(55)60(56)50-23-8-3-9-24-50/h2-4,6-40H,1,5H2.
What are the key properties of N-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline?
N-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline has a molecular weight of 766.99 g/mol, XLogP of 16.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline is sourced from PubChem (CID 166659661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).