N-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylquinoxalin-2-yl)phenyl]isoquinolin-7-amine

C47H31N5 — CID 59501052

IUPACN-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylquinoxalin-2-yl)phenyl]isoquinolin-7-amine
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4ccncc4c3)cc2)cc1
InChIInChI=1S/C47H31N5/c1-2-10-33(11-3-1)46-47(50-43-15-7-6-14-42(43)49-46)34-19-21-36(22-20-34)51(39-23-18-32-28-29-48-31-35(32)30-39)37-24-26-38(27-25-37)52-44-16-8-4-12-40(44)41-13-5-9-17-45(41)52/h1-31H
InChIKeyCUMLFGYUBCKSOT-UHFFFAOYSA-N
MW665.80 g/mol
LogP12.08
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylquinoxalin-2-yl)phenyl]isoquinolin-7-amine

N-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylquinoxalin-2-yl)phenyl]isoquinolin-7-amine (PubChem CID 59501052) has the molecular formula C47H31N5 and a molecular weight of 665.80 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylquinoxalin-2-yl)phenyl]isoquinolin-7-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylquinoxalin-2-yl)phenyl]isoquinolin-7-amine
PubChem CID59501052
Molecular FormulaC47H31N5
Molecular Weight665.80 g/mol
Exact Mass665.26
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylquinoxalin-2-yl)phenyl]isoquinolin-7-amine
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4ccncc4c3)cc2)cc1
InChIInChI=1S/C47H31N5/c1-2-10-33(11-3-1)46-47(50-43-15-7-6-14-42(43)49-46)34-19-21-36(22-20-34)51(39-23-18-32-28-29-48-31-35(32)30-39)37-24-26-38(27-25-37)52-44-16-8-4-12-40(44)41-13-5-9-17-45(41)52/h1-31H
InChIKeyCUMLFGYUBCKSOT-UHFFFAOYSA-N
XLogP12.08
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489369
N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline
CID 59259734
N-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]pyridin-3-amine
CID 59501105
N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine
CID 59211203
N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259961
N-(4-carbazol-9-ylphenyl)-4-(5,8-ditert-butyl-3-phenylquinoxalin-2-yl)-N-phenylaniline;1-N,1-N-diphenyl-4-N-[4-[3-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-[4-[3-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine;1-N,4-N-diphenyl-1-N-(4-phenylphenyl)-4-N-[4-[3-[4-(N-[4-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[3-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine
CID 159892962
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-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489315
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
4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 129122689

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylquinoxalin-2-yl)phenyl]isoquinolin-7-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylquinoxalin-2-yl)phenyl]isoquinolin-7-amine (CID 59501052) is N-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylquinoxalin-2-yl)phenyl]isoquinolin-7-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylquinoxalin-2-yl)phenyl]isoquinolin-7-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylquinoxalin-2-yl)phenyl]isoquinolin-7-amine is c1ccc(-c2nc3ccccc3nc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4ccncc4c3)cc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylquinoxalin-2-yl)phenyl]isoquinolin-7-amine?
The InChIKey is CUMLFGYUBCKSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5/c1-2-10-33(11-3-1)46-47(50-43-15-7-6-14-42(43)49-46)34-19-21-36(22-20-34)51(39-23-18-32-28-29-48-31-35(32)30-39)37-24-26-38(27-25-37)52-44-16-8-4-12-40(44)41-13-5-9-17-45(41)52/h1-31H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylquinoxalin-2-yl)phenyl]isoquinolin-7-amine?
N-(4-carbazol-9-ylphenyl)-N-[4-(3-phenylquinoxalin-2-yl)phenyl]isoquinolin-7-amine has a molecular weight of 665.80 g/mol, XLogP of 12.08, 6 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)-N-[4-(3-phenylquinoxalin-2-yl)phenyl]isoquinolin-7-amine is sourced from PubChem (CID 59501052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).