N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine

C44H31N — CID 139352916

IUPACN,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc3cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)c6ccccc56)cc4)ccc3c2)cc1
InChIInChI=1S/C44H31N/c1-4-12-32(13-5-1)35-20-22-38-31-36(21-23-37(38)30-35)33-24-26-40(27-25-33)45(39-16-8-3-9-17-39)44-29-28-41(34-14-6-2-7-15-34)42-18-10-11-19-43(42)44/h1-31H
InChIKeySBJFXTQHFMPEGU-UHFFFAOYSA-N
MW573.74 g/mol
LogP12.46
Rot. Bonds6

About N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine

N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine (PubChem CID 139352916) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
PubChem CID139352916
Molecular FormulaC44H31N
Molecular Weight573.74 g/mol
Exact Mass573.25
IUPAC NameN,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc3cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)c6ccccc56)cc4)ccc3c2)cc1
InChIInChI=1S/C44H31N/c1-4-12-32(13-5-1)35-20-22-38-31-36(21-23-37(38)30-35)33-24-26-40(27-25-33)45(39-16-8-3-9-17-39)44-29-28-41(34-14-6-2-7-15-34)42-18-10-11-19-43(42)44/h1-31H
InChIKeySBJFXTQHFMPEGU-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

4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 153292219
N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352637
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
N-[3-(3,5-diphenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 166974675
N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-4-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589706
N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 158475864
1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 166917482
N,2,4-triphenyl-N-[4-(6-phenylpyren-1-yl)phenyl]aniline
CID 118012236
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807
5-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N,2-diphenylaniline
CID 167235212
5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine (CID 139352916) is N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine is c1ccc(-c2ccc3cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)c6ccccc56)cc4)ccc3c2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine?
The InChIKey is SBJFXTQHFMPEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-4-12-32(13-5-1)35-20-22-38-31-36(21-23-37(38)30-35)33-24-26-40(27-25-33)45(39-16-8-3-9-17-39)44-29-28-41(34-14-6-2-7-15-34)42-18-10-11-19-43(42)44/h1-31H.
What are the key properties of N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine?
N,4-diphenyl-N-[4-(6-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-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 139352916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).