N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline

C50H34N4 — CID 59259734

IUPACN-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline
SMILESc1ccc(-c2ccc3nc(-c4ccc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C50H34N4/c1-4-14-35(15-5-1)38-26-33-45-46(34-38)52-49(36-16-6-2-7-17-36)50(51-45)37-24-27-40(28-25-37)53(39-18-8-3-9-19-39)41-29-31-42(32-30-41)54-47-22-12-10-20-43(47)44-21-11-13-23-48(44)54/h1-34H
InChIKeyCERAKCOUPNDCST-UHFFFAOYSA-N
MW690.85 g/mol
LogP13.20
Rot. Bonds7

About N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline

N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline (PubChem CID 59259734) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline
PubChem CID59259734
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC NameN-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline
SMILESc1ccc(-c2ccc3nc(-c4ccc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C50H34N4/c1-4-14-35(15-5-1)38-26-33-45-46(34-38)52-49(36-16-6-2-7-17-36)50(51-45)37-24-27-40(28-25-37)53(39-18-8-3-9-19-39)41-29-31-42(32-30-41)54-47-22-12-10-20-43(47)44-21-11-13-23-48(44)54/h1-34H
InChIKeyCERAKCOUPNDCST-UHFFFAOYSA-N
XLogP13.20
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-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-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489315
4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline
CID 143543342
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489347
9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-(2,3-diphenylquinoxalin-6-yl)carbazole
CID 145361898
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146580367
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-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467443
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline (CID 59259734) is N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline is c1ccc(-c2ccc3nc(-c4ccc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c(-c4ccccc4)nc3c2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline?
The InChIKey is CERAKCOUPNDCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-4-14-35(15-5-1)38-26-33-45-46(34-38)52-49(36-16-6-2-7-17-36)50(51-45)37-24-27-40(28-25-37)53(39-18-8-3-9-19-39)41-29-31-42(32-30-41)54-47-22-12-10-20-43(47)44-21-11-13-23-48(44)54/h1-34H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline?
N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline has a molecular weight of 690.85 g/mol, XLogP of 13.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline is sourced from PubChem (CID 59259734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).