N-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine

C52H38N4 — CID 143543257

IUPACN-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine
SMILESCCc1ccc(-c2nc3cccc(-c4ccc(-c5ccccc5)cc4)c3nc2-c2ccc(N(c3ccccc3)c3ccc4[nH]c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C52H38N4/c1-2-35-20-22-39(23-21-35)50-51(55-52-44(17-11-19-49(52)54-50)38-26-24-37(25-27-38)36-12-5-3-6-13-36)40-28-30-42(31-29-40)56(41-14-7-4-8-15-41)43-32-33-48-46(34-43)45-16-9-10-18-47(45)53-48/h3-34,53H,2H2,1H3
InChIKeyOFGXSPLLMHDWSE-UHFFFAOYSA-N
MW718.90 g/mol
LogP13.96
Rot. Bonds8

About N-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine

N-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine (PubChem CID 143543257) has the molecular formula C52H38N4 and a molecular weight of 718.90 g/mol. Its IUPAC name is N-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine.

Molecular Properties

Compound NameN-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine
PubChem CID143543257
Molecular FormulaC52H38N4
Molecular Weight718.90 g/mol
Exact Mass718.31
IUPAC NameN-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine
SMILESCCc1ccc(-c2nc3cccc(-c4ccc(-c5ccccc5)cc4)c3nc2-c2ccc(N(c3ccccc3)c3ccc4[nH]c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C52H38N4/c1-2-35-20-22-39(23-21-35)50-51(55-52-44(17-11-19-49(52)54-50)38-26-24-37(25-27-38)36-12-5-3-6-13-36)40-28-30-42(31-29-40)56(41-14-7-4-8-15-41)43-32-33-48-46(34-43)45-16-9-10-18-47(45)53-48/h3-34,53H,2H2,1H3
InChIKeyOFGXSPLLMHDWSE-UHFFFAOYSA-N
XLogP13.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.90
LogP ≤ 513.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-N-phenyl-9H-carbazol-3-amine;propane
CID 143543385
4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59259780
1-N-methyl-4-N-[4-(5-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143543405
4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 153492707
3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline
CID 141212248
N-[4-(8-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259899
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-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259961
4-(9H-carbazol-3-yl)-N,N-diphenylaniline;ethane
CID 144639434
N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline
CID 59306714
bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline
CID 144639430
7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-N,N-diphenylbenzo[g]carbazol-9-amine
CID 154952571

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine?
The IUPAC name of N-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine (CID 143543257) is N-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine.
What is the SMILES notation for N-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine?
The canonical SMILES for N-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine is CCc1ccc(-c2nc3cccc(-c4ccc(-c5ccccc5)cc4)c3nc2-c2ccc(N(c3ccccc3)c3ccc4[nH]c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine?
The InChIKey is OFGXSPLLMHDWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4/c1-2-35-20-22-39(23-21-35)50-51(55-52-44(17-11-19-49(52)54-50)38-26-24-37(25-27-38)36-12-5-3-6-13-36)40-28-30-42(31-29-40)56(41-14-7-4-8-15-41)43-32-33-48-46(34-43)45-16-9-10-18-47(45)53-48/h3-34,53H,2H2,1H3.
What are the key properties of N-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine?
N-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine has a molecular weight of 718.90 g/mol, XLogP of 13.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine is sourced from PubChem (CID 143543257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).