N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine

C48H33N — CID 140943779

IUPACN-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6ccccc56)cc4)c23)cc1
InChIInChI=1S/C48H33N/c1-2-12-36(13-3-1)45-23-9-18-39-19-10-24-46(48(39)45)38-28-32-41(33-29-38)49(47-25-11-17-35-15-5-7-21-44(35)47)40-30-26-37(27-31-40)43-22-8-16-34-14-4-6-20-42(34)43/h1-33H
InChIKeyUVJLJEMQKYNSOR-UHFFFAOYSA-N
MW623.80 g/mol
LogP13.62
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine

N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine (PubChem CID 140943779) has the molecular formula C48H33N and a molecular weight of 623.80 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
PubChem CID140943779
Molecular FormulaC48H33N
Molecular Weight623.80 g/mol
Exact Mass623.26
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6ccccc56)cc4)c23)cc1
InChIInChI=1S/C48H33N/c1-2-12-36(13-3-1)45-23-9-18-39-19-10-24-46(48(39)45)38-28-32-41(33-29-38)49(47-25-11-17-35-15-5-7-21-44(35)47)40-30-26-37(27-31-40)43-22-8-16-34-14-4-6-20-42(34)43/h1-33H
InChIKeyUVJLJEMQKYNSOR-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
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
N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 169016062
4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589712
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 164832132
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407
N,N-bis(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502561
N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 58750828
N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 164831677
N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-6-amine
CID 177100449
2-benzo[c]phenanthren-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167183794

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine (CID 140943779) is N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6ccccc56)cc4)c23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?
The InChIKey is UVJLJEMQKYNSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N/c1-2-12-36(13-3-1)45-23-9-18-39-19-10-24-46(48(39)45)38-28-32-41(33-29-38)49(47-25-11-17-35-15-5-7-21-44(35)47)40-30-26-37(27-31-40)43-22-8-16-34-14-4-6-20-42(34)43/h1-33H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine?
N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine has a molecular weight of 623.80 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 140943779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).