N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine

C58H42N2 — CID 176611759

IUPACN,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C58H42N2/c1-5-17-47(18-6-1)54-26-15-16-28-56(54)59(50-22-9-3-10-23-50)52-38-33-45(34-39-52)43-29-31-44(32-30-43)46-35-40-53(41-36-46)60(51-24-11-4-12-25-51)57-42-37-48-19-13-14-27-55(48)58(57)49-20-7-2-8-21-49/h1-42H
InChIKeyKXGCCOLMXFYVSG-UHFFFAOYSA-N
MW766.99 g/mol
LogP16.45
Rot. Bonds10

About N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine

N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine (PubChem CID 176611759) has the molecular formula C58H42N2 and a molecular weight of 766.99 g/mol. Its IUPAC name is N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
PubChem CID176611759
Molecular FormulaC58H42N2
Molecular Weight766.99 g/mol
Exact Mass766.33
IUPAC NameN,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C58H42N2/c1-5-17-47(18-6-1)54-26-15-16-28-56(54)59(50-22-9-3-10-23-50)52-38-33-45(34-39-52)43-29-31-44(32-30-43)46-35-40-53(41-36-46)60(51-24-11-4-12-25-51)57-42-37-48-19-13-14-27-55(48)58(57)49-20-7-2-8-21-49/h1-42H
InChIKeyKXGCCOLMXFYVSG-UHFFFAOYSA-N
XLogP16.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.99
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 172527006
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
1-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 164774553
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 139352798
N-(4-phenanthren-9-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 172527338
9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611810
N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 164831677
4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589541
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173
2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155304911
N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611838

Frequently Asked Questions

What is the IUPAC name of N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine?
The IUPAC name of N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine (CID 176611759) is N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine?
The canonical SMILES for N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6ccccc6c5-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine?
The InChIKey is KXGCCOLMXFYVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2/c1-5-17-47(18-6-1)54-26-15-16-28-56(54)59(50-22-9-3-10-23-50)52-38-33-45(34-39-52)43-29-31-44(32-30-43)46-35-40-53(41-36-46)60(51-24-11-4-12-25-51)57-42-37-48-19-13-14-27-55(48)58(57)49-20-7-2-8-21-49/h1-42H.
What are the key properties of N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine?
N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine has a molecular weight of 766.99 g/mol, XLogP of 16.45, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 176611759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).