N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine

C56H38N6 — CID 140917952

IUPACN,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c3nccnc23)cc1
InChIInChI=1S/C56H38N6/c1-5-17-39(18-6-1)59(40-19-7-2-8-20-40)43-29-31-51-47(37-43)45-25-13-15-27-49(45)61(51)53-33-34-54(56-55(53)57-35-36-58-56)62-50-28-16-14-26-46(50)48-38-44(30-32-52(48)62)60(41-21-9-3-10-22-41)42-23-11-4-12-24-42/h1-38H
InChIKeyBZXFESBUHJXCKC-UHFFFAOYSA-N
MW794.96 g/mol
LogP14.76
Rot. Bonds8

About N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine

N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine (PubChem CID 140917952) has the molecular formula C56H38N6 and a molecular weight of 794.96 g/mol. Its IUPAC name is N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine.

Molecular Properties

Compound NameN,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine
PubChem CID140917952
Molecular FormulaC56H38N6
Molecular Weight794.96 g/mol
Exact Mass794.32
IUPAC NameN,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c3nccnc23)cc1
InChIInChI=1S/C56H38N6/c1-5-17-39(18-6-1)59(40-19-7-2-8-20-40)43-29-31-51-47(37-43)45-25-13-15-27-49(45)61(51)53-33-34-54(56-55(53)57-35-36-58-56)62-50-28-16-14-26-46(50)48-38-44(30-32-52(48)62)60(41-21-9-3-10-22-41)42-23-11-4-12-24-42/h1-38H
InChIKeyBZXFESBUHJXCKC-UHFFFAOYSA-N
XLogP14.76
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.96
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine
CID 122433898
N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine
CID 58921964
N,N-diphenyl-9-(11-phenylphenanthro[9,10-b]pyrazin-6-yl)carbazol-3-amine
CID 118912220
3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275830
N,N-diphenyl-9-[4-[7-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-1,10-phenanthrolin-4-yl]phenyl]carbazol-3-amine
CID 135252609
9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
CID 90061420
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
4-carbazol-9-yl-3-[2-[3-(N-phenylanilino)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 139523617
N,N-diphenyl-9-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-amine
CID 90168082
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine?
The IUPAC name of N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine (CID 140917952) is N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine.
What is the SMILES notation for N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine?
The canonical SMILES for N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c3nccnc23)cc1.
What is the InChIKey of N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine?
The InChIKey is BZXFESBUHJXCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N6/c1-5-17-39(18-6-1)59(40-19-7-2-8-20-40)43-29-31-51-47(37-43)45-25-13-15-27-49(45)61(51)53-33-34-54(56-55(53)57-35-36-58-56)62-50-28-16-14-26-46(50)48-38-44(30-32-52(48)62)60(41-21-9-3-10-22-41)42-23-11-4-12-24-42/h1-38H.
What are the key properties of N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine?
N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine has a molecular weight of 794.96 g/mol, XLogP of 14.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine is sourced from PubChem (CID 140917952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).