N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine

C34H24BrN — CID 121327934

IUPACN-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESBrc1cccc(-c2cccc(-c3cccc(N(c4ccccc4)c4cccc5ccccc45)c3)c2)c1
InChIInChI=1S/C34H24BrN/c35-30-16-7-14-28(23-30)26-12-6-13-27(22-26)29-15-8-19-32(24-29)36(31-17-2-1-3-18-31)34-21-9-11-25-10-4-5-20-33(25)34/h1-24H
InChIKeyQIKDZHKMXWGLGQ-UHFFFAOYSA-N
MW526.48 g/mol
LogP10.41
Rot. Bonds5

About N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 121327934) has the molecular formula C34H24BrN and a molecular weight of 526.48 g/mol. Its IUPAC name is N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID121327934
Molecular FormulaC34H24BrN
Molecular Weight526.48 g/mol
Exact Mass525.11
IUPAC NameN-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESBrc1cccc(-c2cccc(-c3cccc(N(c4ccccc4)c4cccc5ccccc45)c3)c2)c1
InChIInChI=1S/C34H24BrN/c35-30-16-7-14-28(23-30)26-12-6-13-27(22-26)29-15-8-19-32(24-29)36(31-17-2-1-3-18-31)34-21-9-11-25-10-4-5-20-33(25)34/h1-24H
InChIKeyQIKDZHKMXWGLGQ-UHFFFAOYSA-N
XLogP10.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.48
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine
CID 159827685
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 59194309
N,N-diphenylnaphthalen-1-amine
CID 11392281
N-[3-[4-(N-[4-[3-[3-(N-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 122414006
N-[4-[3-[3-[4-[N-naphthalen-1-yl-3-[3-[4-(N-[4-[4-[2-[4-[4-(N-[4-[3-[3-[4-(N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 166778133
N-[4-(4-bromophenyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 160874814
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine
CID 130281141
N-[4-(6-bromonaphthalen-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 58078221
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 121327934) is N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine is Brc1cccc(-c2cccc(-c3cccc(N(c4ccccc4)c4cccc5ccccc45)c3)c2)c1.
What is the InChIKey of N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is QIKDZHKMXWGLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24BrN/c35-30-16-7-14-28(23-30)26-12-6-13-27(22-26)29-15-8-19-32(24-29)36(31-17-2-1-3-18-31)34-21-9-11-25-10-4-5-20-33(25)34/h1-24H.
What are the key properties of N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 526.48 g/mol, XLogP of 10.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 121327934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).