N-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]pyridin-3-amine

C49H33N5 — CID 59501105

IUPACN-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]pyridin-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5nc4-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cn2)cc1
InChIInChI=1S/C49H33N5/c1-3-13-34(14-4-1)43-32-31-40(33-50-43)53(38-27-29-39(30-28-38)54-46-21-11-7-17-41(46)42-18-8-12-22-47(42)54)37-25-23-36(24-26-37)49-48(35-15-5-2-6-16-35)51-44-19-9-10-20-45(44)52-49/h1-33H
InChIKeyKBMKSCBFDLUWDU-UHFFFAOYSA-N
MW691.84 g/mol
LogP12.59
Rot. Bonds7

About N-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]pyridin-3-amine

N-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]pyridin-3-amine (PubChem CID 59501105) has the molecular formula C49H33N5 and a molecular weight of 691.84 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]pyridin-3-amine
PubChem CID59501105
Molecular FormulaC49H33N5
Molecular Weight691.84 g/mol
Exact Mass691.27
IUPAC NameN-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]pyridin-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5nc4-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cn2)cc1
InChIInChI=1S/C49H33N5/c1-3-13-34(14-4-1)43-32-31-40(33-50-43)53(38-27-29-39(30-28-38)54-46-21-11-7-17-41(46)42-18-8-12-22-47(42)54)37-25-23-36(24-26-37)49-48(35-15-5-2-6-16-35)51-44-19-9-10-20-45(44)52-49/h1-33H
InChIKeyKBMKSCBFDLUWDU-UHFFFAOYSA-N
XLogP12.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.84
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline
CID 59259734
N-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylquinoxalin-2-yl)phenyl]isoquinolin-7-amine
CID 59501052
22-[4-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474842
N-[4-[3-[4-(4-carbazol-9-yl-N-isoquinolin-7-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-carbazol-9-ylphenyl)isoquinolin-7-amine;N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-6-phenylpyridin-3-amine;N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-(6-pyridin-2-yl-3-pyridinyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-6-pyridin-2-ylpyridin-3-amine;N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-(6-pyridin-3-yl-3-pyridinyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-6-pyridin-3-ylpyridin-3-amine;N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-(6-pyridin-4-yl-3-pyridinyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-6-pyridin-4-ylpyridin-3-amine;N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-7-ylanilino)phenyl]quinoxalin-2-yl]phenyl]quinolin-7-amine
CID 162155862
N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline
CID 59259835
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenylquinoxalin-2-yl)naphthalen-1-amine
CID 59260010
N-[4-[3-[4-(4-carbazol-9-yl-N-[6-(4-methylphenyl)-3-pyridinyl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-6-(4-methylphenyl)pyridin-3-amine;N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-diethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine;N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-[4-[3-[4-[4-(3,6-dimethylcarbazol-9-yl)-N-quinolin-8-ylanilino]phenyl]quinoxalin-2-yl]phenyl]quinolin-8-amine
CID 158376941
4-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489369
2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline
CID 164980722
N,N-diphenyl-4-[9-(4-quinoxalin-2-ylphenyl)carbazol-3-yl]aniline
CID 135252509
N-(4-carbazol-9-ylphenyl)-4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)naphthalen-1-yl]quinoxalin-2-yl]-N-phenylnaphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-5-[3-[5-(N-(4-carbazol-9-ylphenyl)anilino)naphthalen-1-yl]quinoxalin-2-yl]-N-phenylnaphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5,8-bis(4-phenylphenyl)quinoxalin-2-yl]-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5,8-diphenylquinoxalin-2-yl]-N-phenylaniline
CID 158264499
N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489315

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]pyridin-3-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]pyridin-3-amine (CID 59501105) is N-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]pyridin-3-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]pyridin-3-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]pyridin-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5nc4-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cn2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]pyridin-3-amine?
The InChIKey is KBMKSCBFDLUWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N5/c1-3-13-34(14-4-1)43-32-31-40(33-50-43)53(38-27-29-39(30-28-38)54-46-21-11-7-17-41(46)42-18-8-12-22-47(42)54)37-25-23-36(24-26-37)49-48(35-15-5-2-6-16-35)51-44-19-9-10-20-45(44)52-49/h1-33H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]pyridin-3-amine?
N-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]pyridin-3-amine has a molecular weight of 691.84 g/mol, XLogP of 12.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]pyridin-3-amine is sourced from PubChem (CID 59501105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).