N-[4-(6-bromonaphthalen-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine

C36H24BrN — CID 58078221

IUPACN-[4-(6-bromonaphthalen-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
SMILESBrc1ccc2cc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc5ccccc45)cc3)ccc2c1
InChIInChI=1S/C36H24BrN/c37-32-18-14-30-22-29(12-13-31(30)23-32)26-15-19-33(20-16-26)38(34-21-17-25-6-1-2-8-28(25)24-34)36-11-5-9-27-7-3-4-10-35(27)36/h1-24H
InChIKeyJKDTYDYLNVMQPS-UHFFFAOYSA-N
MW550.50 g/mol
LogP11.05
Rot. Bonds4

About N-[4-(6-bromonaphthalen-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine

N-[4-(6-bromonaphthalen-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine (PubChem CID 58078221) has the molecular formula C36H24BrN and a molecular weight of 550.50 g/mol. Its IUPAC name is N-[4-(6-bromonaphthalen-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(6-bromonaphthalen-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
PubChem CID58078221
Molecular FormulaC36H24BrN
Molecular Weight550.50 g/mol
Exact Mass549.11
IUPAC NameN-[4-(6-bromonaphthalen-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
SMILESBrc1ccc2cc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc5ccccc45)cc3)ccc2c1
InChIInChI=1S/C36H24BrN/c37-32-18-14-30-22-29(12-13-31(30)23-32)26-15-19-33(20-16-26)38(34-21-17-25-6-1-2-8-28(25)24-34)36-11-5-9-27-7-3-4-10-35(27)36/h1-24H
InChIKeyJKDTYDYLNVMQPS-UHFFFAOYSA-N
XLogP11.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.50
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292209
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,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine
CID 59893001
N-[4-[4-(4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327844
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 158284393
N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 159314594
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,3-diphenyl-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-naphthalen-1-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;3-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 161474409
N-[4-[4-(N-[4-[4-(N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[4-(N-[4-[4-(N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-[N-naphthalen-1-yl-4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157185811
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]naphthalen-2-amine
CID 159759167
N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]naphthalen-2-amine;4-N-naphthalen-1-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 159764357
1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 59575239

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-bromonaphthalen-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine?
The IUPAC name of N-[4-(6-bromonaphthalen-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine (CID 58078221) is N-[4-(6-bromonaphthalen-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine.
What is the SMILES notation for N-[4-(6-bromonaphthalen-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine?
The canonical SMILES for N-[4-(6-bromonaphthalen-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine is Brc1ccc2cc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc5ccccc45)cc3)ccc2c1.
What is the InChIKey of N-[4-(6-bromonaphthalen-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine?
The InChIKey is JKDTYDYLNVMQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24BrN/c37-32-18-14-30-22-29(12-13-31(30)23-32)26-15-19-33(20-16-26)38(34-21-17-25-6-1-2-8-28(25)24-34)36-11-5-9-27-7-3-4-10-35(27)36/h1-24H.
What are the key properties of N-[4-(6-bromonaphthalen-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine?
N-[4-(6-bromonaphthalen-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine has a molecular weight of 550.50 g/mol, XLogP of 11.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-bromonaphthalen-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine is sourced from PubChem (CID 58078221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).