1-N-methyl-4-N-[4-(5-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine

C49H36N4 — CID 143543405

IUPAC1-N-methyl-4-N-[4-(5-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESCN(c1ccccc1)c1ccc(N(c2ccccc2)c2ccc(-c3nc4cccc(-c5cccc6ccccc56)c4nc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C49H36N4/c1-52(38-19-7-3-8-20-38)39-31-33-42(34-32-39)53(40-21-9-4-10-22-40)41-29-27-37(28-30-41)47-48(36-16-5-2-6-17-36)51-49-45(25-14-26-46(49)50-47)44-24-13-18-35-15-11-12-23-43(35)44/h2-34H,1H3
InChIKeyHPZCWJLGXIDTRJ-UHFFFAOYSA-N
MW680.86 g/mol
LogP13.02
Rot. Bonds8

About 1-N-methyl-4-N-[4-(5-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine

1-N-methyl-4-N-[4-(5-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 143543405) has the molecular formula C49H36N4 and a molecular weight of 680.86 g/mol. Its IUPAC name is 1-N-methyl-4-N-[4-(5-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-[4-(5-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID143543405
Molecular FormulaC49H36N4
Molecular Weight680.86 g/mol
Exact Mass680.29
IUPAC Name1-N-methyl-4-N-[4-(5-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESCN(c1ccccc1)c1ccc(N(c2ccccc2)c2ccc(-c3nc4cccc(-c5cccc6ccccc56)c4nc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C49H36N4/c1-52(38-19-7-3-8-20-38)39-31-33-42(34-32-39)53(40-21-9-4-10-22-40)41-29-27-37(28-30-41)47-48(36-16-5-2-6-17-36)51-49-45(25-14-26-46(49)50-47)44-24-13-18-35-15-11-12-23-43(35)44/h2-34H,1H3
InChIKeyHPZCWJLGXIDTRJ-UHFFFAOYSA-N
XLogP13.02
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.86
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59259780
N-[4-(8-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259899
N-[4-(5,8-dinaphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59260015
4-N-[4-[5,8-dinaphthalen-1-yl-3-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]quinoxalin-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;4-N-[4-[5,8-dinaphthalen-2-yl-3-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]quinoxalin-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;N,9-diphenyl-N-[4-[3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine
CID 158238059
N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259961
7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-N,N-diphenylbenzo[g]carbazol-9-amine
CID 154952571
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
8-naphthalen-1-yl-2-[4-[4-(8-naphthalen-1-yl-3-phenylpyrido[3,4-b]pyrazin-2-yl)phenyl]phenyl]-3-phenylpyrido[3,4-b]pyrazine
CID 139835708
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
N-[4-[3-(4-ethylphenyl)-8-(4-phenylphenyl)quinoxalin-2-yl]phenyl]-N-phenyl-9H-carbazol-3-amine
CID 143543257
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431752
4-N-[4-[5-tert-butyl-3-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]quinoxalin-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59259732

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-[4-(5-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 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) is 1-N-methyl-4-N-[4-(5-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-[4-(5-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-[4-(5-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine is CN(c1ccccc1)c1ccc(N(c2ccccc2)c2ccc(-c3nc4cccc(-c5cccc6ccccc56)c4nc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-N-methyl-4-N-[4-(5-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is HPZCWJLGXIDTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N4/c1-52(38-19-7-3-8-20-38)39-31-33-42(34-32-39)53(40-21-9-4-10-22-40)41-29-27-37(28-30-41)47-48(36-16-5-2-6-17-36)51-49-45(25-14-26-46(49)50-47)44-24-13-18-35-15-11-12-23-43(35)44/h2-34H,1H3.
What are the key properties of 1-N-methyl-4-N-[4-(5-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine?
1-N-methyl-4-N-[4-(5-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 680.86 g/mol, XLogP of 13.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-[4-(5-naphthalen-1-yl-3-phenylquinoxalin-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 143543405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).