N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine

C54H36N4 — CID 59259961

IUPACN-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(-c2nc3cccc(-c4ccc5ccccc5c4)c3nc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H36N4/c1-4-16-38(17-5-1)52-53(56-54-46(24-14-25-49(54)55-52)41-28-27-37-15-10-11-18-40(37)35-41)39-29-31-44(32-30-39)57(42-19-6-2-7-20-42)45-33-34-51-48(36-45)47-23-12-13-26-50(47)58(51)43-21-8-3-9-22-43/h1-36H
InChIKeyNEQWLJOZFMPXLP-UHFFFAOYSA-N
MW740.91 g/mol
LogP14.35
Rot. Bonds7

About N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine

N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 59259961) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
PubChem CID59259961
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC NameN-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(-c2nc3cccc(-c4ccc5ccccc5c4)c3nc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H36N4/c1-4-16-38(17-5-1)52-53(56-54-46(24-14-25-49(54)55-52)41-28-27-37-15-10-11-18-40(37)35-41)39-29-31-44(32-30-39)57(42-19-6-2-7-20-42)45-33-34-51-48(36-45)47-23-12-13-26-50(47)58(51)43-21-8-3-9-22-43/h1-36H
InChIKeyNEQWLJOZFMPXLP-UHFFFAOYSA-N
XLogP14.35
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(8-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259899
4-N-[4-[5,8-dinaphthalen-1-yl-3-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]quinoxalin-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[4-[5,8-dinaphthalen-2-yl-3-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]quinoxalin-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;N,9-diphenyl-N-[4-[3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine
CID 158238059
6-naphthalen-2-yl-N-[4-[3-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259764
N-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59260015
4-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489369
N-[4-[5-ethyl-3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259901
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N,9-diphenyl-N-[4-[3-[4-(N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]quinoxalin-2-yl]naphthalen-1-yl]carbazol-3-amine;N,9-diphenyl-N-[5-[3-[5-(N-(9-phenylcarbazol-3-yl)anilino)naphthalen-1-yl]quinoxalin-2-yl]naphthalen-1-yl]carbazol-3-amine;N,9-diphenyl-N-[4-[4-[3-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]carbazol-3-amine
CID 158704413
N-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118103057
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-N,N-diphenylbenzo[g]carbazol-9-amine
CID 154952571
9-naphthalen-1-yl-N-[4-[3-[4-(N-(9-naphthalen-1-ylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-naphthalen-2-yl-N-[4-[3-[4-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazol-3-amine;9-phenyl-N-(2-phenylphenyl)-N-[4-[3-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine;N-phenyl-9-(2-phenylphenyl)-N-[4-[3-[4-(N-[9-(2-phenylphenyl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine;N-phenyl-9-(3-phenylphenyl)-N-[4-[3-[4-(N-[9-(3-phenylphenyl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine
CID 161110608

Frequently Asked Questions

What is the IUPAC name of N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine (CID 59259961) is N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine is c1ccc(-c2nc3cccc(-c4ccc5ccccc5c4)c3nc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is NEQWLJOZFMPXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-4-16-38(17-5-1)52-53(56-54-46(24-14-25-49(54)55-52)41-28-27-37-15-10-11-18-40(37)35-41)39-29-31-44(32-30-39)57(42-19-6-2-7-20-42)45-33-34-51-48(36-45)47-23-12-13-26-50(47)58(51)43-21-8-3-9-22-43/h1-36H.
What are the key properties of N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 740.91 g/mol, XLogP of 14.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 59259961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).