N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine

C44H31N — CID 139352637

IUPACN,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)c5ccccc45)cc3)cc3ccccc23)cc1
InChIInChI=1S/C44H31N/c1-4-14-33(15-5-1)40-28-29-44(42-23-13-12-22-41(40)42)45(37-19-8-3-9-20-37)38-26-24-32(25-27-38)36-30-35-18-10-11-21-39(35)43(31-36)34-16-6-2-7-17-34/h1-31H
InChIKeyHLZHLLSKCFQYDZ-UHFFFAOYSA-N
MW573.74 g/mol
LogP12.46
Rot. Bonds6

About N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine

N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine (PubChem CID 139352637) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
PubChem CID139352637
Molecular FormulaC44H31N
Molecular Weight573.74 g/mol
Exact Mass573.25
IUPAC NameN,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)c5ccccc45)cc3)cc3ccccc23)cc1
InChIInChI=1S/C44H31N/c1-4-14-33(15-5-1)40-28-29-44(42-23-13-12-22-41(40)42)45(37-19-8-3-9-20-37)38-26-24-32(25-27-38)36-30-35-18-10-11-21-39(35)43(31-36)34-16-6-2-7-17-34/h1-31H
InChIKeyHLZHLLSKCFQYDZ-UHFFFAOYSA-N
XLogP12.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.74
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352916
N-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 139352860
N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline
CID 156808683
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine
CID 166917627
N,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine
CID 58078248
4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141564
4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 153292219
N-[3-(3,5-diphenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 166974675
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2,4-diphenylaniline
CID 163718769
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 156578695
N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 138622973

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine (CID 139352637) is N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine is c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)c5ccccc45)cc3)cc3ccccc23)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine?
The InChIKey is HLZHLLSKCFQYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-4-14-33(15-5-1)40-28-29-44(42-23-13-12-22-41(40)42)45(37-19-8-3-9-20-37)38-26-24-32(25-27-38)36-30-35-18-10-11-21-39(35)43(31-36)34-16-6-2-7-17-34/h1-31H.
What are the key properties of N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine?
N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine has a molecular weight of 573.74 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 139352637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).