N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline

C56H38N2 — CID 170363167

IUPACN-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5cc(-n6c7ccccc7c7ccc8ccccc8c76)ccc5c4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C56H38N2/c1-3-12-39(13-4-1)41-24-30-48(31-25-41)57(50-18-11-17-44(37-50)40-14-5-2-6-15-40)49-32-26-42(27-33-49)45-22-23-47-38-51(34-28-46(47)36-45)58-55-21-10-9-20-53(55)54-35-29-43-16-7-8-19-52(43)56(54)58/h1-38H
InChIKeyLWMCTZRZULDKAT-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.56
Rot. Bonds7

About N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline

N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 170363167) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
PubChem CID170363167
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC NameN-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5cc(-n6c7ccccc7c7ccc8ccccc8c76)ccc5c4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C56H38N2/c1-3-12-39(13-4-1)41-24-30-48(31-25-41)57(50-18-11-17-44(37-50)40-14-5-2-6-15-40)49-32-26-42(27-33-49)45-22-23-47-38-51(34-28-46(47)36-45)58-55-21-10-9-20-53(55)54-35-29-43-16-7-8-19-52(43)56(54)58/h1-38H
InChIKeyLWMCTZRZULDKAT-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 155034335
N-(4-benzo[a]carbazol-11-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 167038330
3-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;3-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-(2-phenylphenyl)phenyl]phenyl]aniline
CID 162113105
4-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline;4-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-phenyl-N-[4-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 161282085
7-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)-N-phenyl-N-(3-phenylphenyl)naphthalen-2-amine
CID 145273382
7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170363156
N-phenyl-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N-(4-phenylphenyl)aniline
CID 154589062
N-(4-carbazol-9-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 135164563
N-[4-(6-carbazol-9-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142727938
N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 145273364
N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-triphenylsilylaniline
CID 171457228
N-(3-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenylaniline
CID 166566208

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline (CID 170363167) is N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5cc(-n6c7ccccc7c7ccc8ccccc8c76)ccc5c4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is LWMCTZRZULDKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-3-12-39(13-4-1)41-24-30-48(31-25-41)57(50-18-11-17-44(37-50)40-14-5-2-6-15-40)49-32-26-42(27-33-49)45-22-23-47-38-51(34-28-46(47)36-45)58-55-21-10-9-20-53(55)54-35-29-43-16-7-8-19-52(43)56(54)58/h1-38H.
What are the key properties of N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 738.93 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170363167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).