4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline

C47H34N4 — CID 143543342

IUPAC4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline
SMILESCc1cc2ccccc2n1-c1ccc(N(c2ccccc2)c2ccc(-c3nc4ccc(-c5ccccc5)cc4nc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C47H34N4/c1-33-31-38-17-11-12-20-45(38)50(33)40-26-28-42(29-27-40)51(39-18-9-4-10-19-39)41-24-21-36(22-25-41)47-46(35-15-7-3-8-16-35)49-44-32-37(23-30-43(44)48-47)34-13-5-2-6-14-34/h2-32H,1H3
InChIKeySVFCZBWMAXIIEO-UHFFFAOYSA-N
MW654.82 g/mol
LogP12.35
Rot. Bonds7

About 4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline

4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline (PubChem CID 143543342) has the molecular formula C47H34N4 and a molecular weight of 654.82 g/mol. Its IUPAC name is 4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline
PubChem CID143543342
Molecular FormulaC47H34N4
Molecular Weight654.82 g/mol
Exact Mass654.28
IUPAC Name4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline
SMILESCc1cc2ccccc2n1-c1ccc(N(c2ccccc2)c2ccc(-c3nc4ccc(-c5ccccc5)cc4nc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C47H34N4/c1-33-31-38-17-11-12-20-45(38)50(33)40-26-28-42(29-27-40)51(39-18-9-4-10-19-39)41-24-21-36(22-25-41)47-46(35-15-7-3-8-16-35)49-44-32-37(23-30-43(44)48-47)34-13-5-2-6-14-34/h2-32H,1H3
InChIKeySVFCZBWMAXIIEO-UHFFFAOYSA-N
XLogP12.35
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.82
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline
CID 59259734
4-(2-methylindol-1-yl)-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]naphthalen-1-amine
CID 143543396
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-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489369
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-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline
CID 144768904
4-N-[4-[3-[4-(N-[4-(2-methylindol-1-yl)phenyl]anilino)phenyl]-5-naphthalen-2-ylquinoxalin-2-yl]phenyl]-4-N-phenyl-1-N-prop-2-enyl-1-N-(2-prop-2-enylphenyl)benzene-1,4-diamine
CID 143543339
N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 59702508
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
4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline
CID 58370929

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline?
The IUPAC name of 4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline (CID 143543342) is 4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline.
What is the SMILES notation for 4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline?
The canonical SMILES for 4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline is Cc1cc2ccccc2n1-c1ccc(N(c2ccccc2)c2ccc(-c3nc4ccc(-c5ccccc5)cc4nc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline?
The InChIKey is SVFCZBWMAXIIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N4/c1-33-31-38-17-11-12-20-45(38)50(33)40-26-28-42(29-27-40)51(39-18-9-4-10-19-39)41-24-21-36(22-25-41)47-46(35-15-7-3-8-16-35)49-44-32-37(23-30-43(44)48-47)34-13-5-2-6-14-34/h2-32H,1H3.
What are the key properties of 4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline?
4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline has a molecular weight of 654.82 g/mol, XLogP of 12.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline is sourced from PubChem (CID 143543342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).