N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

C64H44N2 — CID 159269643

IUPACN-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3)ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)c2-c2ccccc2)cc1
InChIInChI=1S/C64H44N2/c1-3-23-50(24-4-1)63-57(49-39-41-52(42-40-49)65(58-35-15-27-45-19-7-11-31-53(45)58)59-36-16-28-46-20-8-12-32-54(46)59)43-44-62(64(63)51-25-5-2-6-26-51)66(60-37-17-29-47-21-9-13-33-55(47)60)61-38-18-30-48-22-10-14-34-56(48)61/h1-44H
InChIKeyKXNRETIRZVTYPC-UHFFFAOYSA-N
MW841.07 g/mol
LogP18.24
Rot. Bonds9

About N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (PubChem CID 159269643) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
PubChem CID159269643
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC NameN-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3)ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)c2-c2ccccc2)cc1
InChIInChI=1S/C64H44N2/c1-3-23-50(24-4-1)63-57(49-39-41-52(42-40-49)65(58-35-15-27-45-19-7-11-31-53(45)58)59-36-16-28-46-20-8-12-32-54(46)59)43-44-62(64(63)51-25-5-2-6-26-51)66(60-37-17-29-47-21-9-13-33-55(47)60)61-38-18-30-48-22-10-14-34-56(48)61/h1-44H
InChIKeyKXNRETIRZVTYPC-UHFFFAOYSA-N
XLogP18.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.07
LogP ≤ 518.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 139352798
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-naphthalen-1-ylphenyl)-1,6-diphenylnaphthalene-2,7-diamine
CID 159188503
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)triphenylen-1-amine
CID 167265707
N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 164831677
N-(4-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 168789214
4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589541
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790268
N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 142730115
N-(4-naphthalen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168788408
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501728
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The IUPAC name of N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (CID 159269643) is N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The canonical SMILES for N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is c1ccc(-c2c(-c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3)ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)c2-c2ccccc2)cc1.
What is the InChIKey of N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The InChIKey is KXNRETIRZVTYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-3-23-50(24-4-1)63-57(49-39-41-52(42-40-49)65(58-35-15-27-45-19-7-11-31-53(45)58)59-36-16-28-46-20-8-12-32-54(46)59)43-44-62(64(63)51-25-5-2-6-26-51)66(60-37-17-29-47-21-9-13-33-55(47)60)61-38-18-30-48-22-10-14-34-56(48)61/h1-44H.
What are the key properties of N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine has a molecular weight of 841.07 g/mol, XLogP of 18.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is sourced from PubChem (CID 159269643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).