N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline

C62H42N4 — CID 59489448

IUPACN-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc(-c6nc7ccccc7nc6-c6ccccc6)cc5)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C62H42N4/c1-5-17-44(18-6-1)53-25-13-14-26-54(53)48-34-40-60-56(42-48)55-41-47(33-39-59(55)66(60)50-23-11-4-12-24-50)43-29-35-51(36-30-43)65(49-21-9-3-10-22-49)52-37-31-46(32-38-52)62-61(45-19-7-2-8-20-45)63-57-27-15-16-28-58(57)64-62/h1-42H
InChIKeyYLWJWHRSSFGJBQ-UHFFFAOYSA-N
MW843.05 g/mol
LogP16.53
Rot. Bonds9

About N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline

N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline (PubChem CID 59489448) has the molecular formula C62H42N4 and a molecular weight of 843.05 g/mol. Its IUPAC name is N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
PubChem CID59489448
Molecular FormulaC62H42N4
Molecular Weight843.05 g/mol
Exact Mass842.34
IUPAC NameN-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc(-c6nc7ccccc7nc6-c6ccccc6)cc5)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C62H42N4/c1-5-17-44(18-6-1)53-25-13-14-26-54(53)48-34-40-60-56(42-48)55-41-47(33-39-59(55)66(60)50-23-11-4-12-24-50)43-29-35-51(36-30-43)65(49-21-9-3-10-22-49)52-37-31-46(32-38-52)62-61(45-19-7-2-8-20-45)63-57-27-15-16-28-58(57)64-62/h1-42H
InChIKeyYLWJWHRSSFGJBQ-UHFFFAOYSA-N
XLogP16.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.05
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489315
4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489347
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
4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337175
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-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489369
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-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline;N-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 158286296
N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline
CID 134236787
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline
CID 59259734
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline?
The IUPAC name of N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline (CID 59489448) is N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline.
What is the SMILES notation for N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline?
The canonical SMILES for N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline is c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc(-c6nc7ccccc7nc6-c6ccccc6)cc5)cc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline?
The InChIKey is YLWJWHRSSFGJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N4/c1-5-17-44(18-6-1)53-25-13-14-26-54(53)48-34-40-60-56(42-48)55-41-47(33-39-59(55)66(60)50-23-11-4-12-24-50)43-29-35-51(36-30-43)65(49-21-9-3-10-22-49)52-37-31-46(32-38-52)62-61(45-19-7-2-8-20-45)63-57-27-15-16-28-58(57)64-62/h1-42H.
What are the key properties of N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline?
N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline has a molecular weight of 843.05 g/mol, XLogP of 16.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline is sourced from PubChem (CID 59489448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).