N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine

C52H38N2 — CID 176611838

IUPACN,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2c(N(c3ccccc3)c3cccc(-c4ccc(-c5cccc(N(c6ccccc6)c6ccccc6)c5)cc4)c3)ccc3ccccc23)cc1
InChIInChI=1S/C52H38N2/c1-5-18-42(19-6-1)52-50-30-14-13-17-41(50)35-36-51(52)54(47-26-11-4-12-27-47)49-29-16-21-44(38-49)40-33-31-39(32-34-40)43-20-15-28-48(37-43)53(45-22-7-2-8-23-45)46-24-9-3-10-25-46/h1-38H
InChIKeyASSMEMLIVVIWHN-UHFFFAOYSA-N
MW690.89 g/mol
LogP14.78
Rot. Bonds9

About N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine

N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine (PubChem CID 176611838) has the molecular formula C52H38N2 and a molecular weight of 690.89 g/mol. Its IUPAC name is N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine
PubChem CID176611838
Molecular FormulaC52H38N2
Molecular Weight690.89 g/mol
Exact Mass690.30
IUPAC NameN,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2c(N(c3ccccc3)c3cccc(-c4ccc(-c5cccc(N(c6ccccc6)c6ccccc6)c5)cc4)c3)ccc3ccccc23)cc1
InChIInChI=1S/C52H38N2/c1-5-18-42(19-6-1)52-50-30-14-13-17-41(50)35-36-51(52)54(47-26-11-4-12-27-47)49-29-16-21-44(38-49)40-33-31-39(32-34-40)43-20-15-28-48(37-43)53(45-22-7-2-8-23-45)46-24-9-3-10-25-46/h1-38H
InChIKeyASSMEMLIVVIWHN-UHFFFAOYSA-N
XLogP14.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.89
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
N,17-diphenyl-N-[1-(3-phenylphenyl)naphthalen-2-yl]pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 171728735
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine
CID 130281141
N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098573
N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine
CID 176611866
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine
CID 176611821
N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)anthracen-9-amine
CID 164774903
N,3-diphenyl-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-naphthalen-1-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;3-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 161474409
N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611759
N-[3-[4-(N-[4-[3-[3-(N-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 122414006
1-naphthalen-1-yl-N,N-bis(2-phenylphenyl)naphthalen-2-amine;1-naphthalen-1-yl-N,N-bis(3-phenylphenyl)naphthalen-2-amine;1-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine;1-naphthalen-1-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 164980221

Frequently Asked Questions

What is the IUPAC name of N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine?
The IUPAC name of N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine (CID 176611838) is N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine?
The canonical SMILES for N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine is c1ccc(-c2c(N(c3ccccc3)c3cccc(-c4ccc(-c5cccc(N(c6ccccc6)c6ccccc6)c5)cc4)c3)ccc3ccccc23)cc1.
What is the InChIKey of N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine?
The InChIKey is ASSMEMLIVVIWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2/c1-5-18-42(19-6-1)52-50-30-14-13-17-41(50)35-36-51(52)54(47-26-11-4-12-27-47)49-29-16-21-44(38-49)40-33-31-39(32-34-40)43-20-15-28-48(37-43)53(45-22-7-2-8-23-45)46-24-9-3-10-25-46/h1-38H.
What are the key properties of N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine?
N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine has a molecular weight of 690.89 g/mol, XLogP of 14.78, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 176611838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).