4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline

C63H44N4 — CID 59489347

IUPAC4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
SMILESCc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cc6)cc5)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C63H44N4/c1-43-21-23-44(24-22-43)45-25-27-46(28-26-45)50-33-39-60-56(41-50)57-42-51(34-40-61(57)67(60)53-17-9-4-10-18-53)47-29-35-54(36-30-47)66(52-15-7-3-8-16-52)55-37-31-49(32-38-55)63-62(48-13-5-2-6-14-48)64-58-19-11-12-20-59(58)65-63/h2-42H,1H3
InChIKeySNIIKMIJRMPTPH-UHFFFAOYSA-N
MW857.07 g/mol
LogP16.84
Rot. Bonds9

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

4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline (PubChem CID 59489347) has the molecular formula C63H44N4 and a molecular weight of 857.07 g/mol. Its IUPAC name is 4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
PubChem CID59489347
Molecular FormulaC63H44N4
Molecular Weight857.07 g/mol
Exact Mass856.36
IUPAC Name4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
SMILESCc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cc6)cc5)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C63H44N4/c1-43-21-23-44(24-22-43)45-25-27-46(28-26-45)50-33-39-60-56(41-50)57-42-51(34-40-61(57)67(60)53-17-9-4-10-18-53)47-29-35-54(36-30-47)66(52-15-7-3-8-16-52)55-37-31-49(32-38-55)63-62(48-13-5-2-6-14-48)64-58-19-11-12-20-59(58)65-63/h2-42H,1H3
InChIKeySNIIKMIJRMPTPH-UHFFFAOYSA-N
XLogP16.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.07
LogP ≤ 516.84
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
N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489448
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
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-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-4-[3-[4-(N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]anilino)phenyl]-5,6-diphenylpyrazin-2-yl]-N-phenylaniline
CID 118029528
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-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 161499770
3-(3-phenanthridin-6-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 121337544
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline?
The IUPAC name of 4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline (CID 59489347) is 4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline.
What is the SMILES notation for 4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline?
The canonical SMILES for 4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline is Cc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cc6)cc5)ccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline?
The InChIKey is SNIIKMIJRMPTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N4/c1-43-21-23-44(24-22-43)45-25-27-46(28-26-45)50-33-39-60-56(41-50)57-42-51(34-40-61(57)67(60)53-17-9-4-10-18-53)47-29-35-54(36-30-47)66(52-15-7-3-8-16-52)55-37-31-49(32-38-55)63-62(48-13-5-2-6-14-48)64-58-19-11-12-20-59(58)65-63/h2-42H,1H3.
What are the key properties of 4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline?
4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline has a molecular weight of 857.07 g/mol, XLogP of 16.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline is sourced from PubChem (CID 59489347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).