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

C62H42N4 — CID 59489315

IUPACN-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cc6)cc5)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C62H42N4/c1-5-15-43(16-6-1)44-25-27-45(28-26-44)49-33-39-59-55(41-49)56-42-50(34-40-60(56)66(59)52-21-11-4-12-22-52)46-29-35-53(36-30-46)65(51-19-9-3-10-20-51)54-37-31-48(32-38-54)62-61(47-17-7-2-8-18-47)63-57-23-13-14-24-58(57)64-62/h1-42H
InChIKeySFJZHUDJYRCUQR-UHFFFAOYSA-N
MW843.05 g/mol
LogP16.53
Rot. Bonds9

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

N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline (PubChem CID 59489315) has the molecular formula C62H42N4 and a molecular weight of 843.05 g/mol. Its IUPAC name is N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
PubChem CID59489315
Molecular FormulaC62H42N4
Molecular Weight843.05 g/mol
Exact Mass842.34
IUPAC NameN-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cc6)cc5)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C62H42N4/c1-5-15-43(16-6-1)44-25-27-45(28-26-44)49-33-39-59-55(41-49)56-42-50(34-40-60(56)66(59)52-21-11-4-12-22-52)46-29-35-53(36-30-46)65(51-19-9-3-10-20-51)54-37-31-48(32-38-54)62-61(47-17-7-2-8-18-47)63-57-23-13-14-24-58(57)64-62/h1-42H
InChIKeySFJZHUDJYRCUQR-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

4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489347
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
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
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
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline?
The IUPAC name of N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline (CID 59489315) is N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline.
What is the SMILES notation for N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline?
The canonical SMILES for N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cc6)cc5)ccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline?
The InChIKey is SFJZHUDJYRCUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N4/c1-5-15-43(16-6-1)44-25-27-45(28-26-44)49-33-39-59-55(41-49)56-42-50(34-40-60(56)66(59)52-21-11-4-12-22-52)46-29-35-53(36-30-46)65(51-19-9-3-10-20-51)54-37-31-48(32-38-54)62-61(47-17-7-2-8-18-47)63-57-23-13-14-24-58(57)64-62/h1-42H.
What are the key properties of N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline?
N-phenyl-4-[9-phenyl-6-(4-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-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline is sourced from PubChem (CID 59489315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).