6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine

C42H28BrN — CID 156573110

IUPAC6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
SMILESBrc1ccc(-c2ccc3ccc(-c4ccc5cc(Nc6ccc(-c7ccc8ccccc8c7)cc6)ccc5c4)cc3c2)cc1
InChIInChI=1S/C42H28BrN/c43-40-18-13-29(14-19-40)34-9-6-31-7-10-36(26-39(31)25-34)35-11-12-38-27-42(22-17-37(38)24-35)44-41-20-15-30(16-21-41)33-8-5-28-3-1-2-4-32(28)23-33/h1-27,44H
InChIKeyRKXHKXBBNJYLFN-UHFFFAOYSA-N
MW626.60 g/mol
LogP12.65
Rot. Bonds5

About 6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine

6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine (PubChem CID 156573110) has the molecular formula C42H28BrN and a molecular weight of 626.60 g/mol. Its IUPAC name is 6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
PubChem CID156573110
Molecular FormulaC42H28BrN
Molecular Weight626.60 g/mol
Exact Mass625.14
IUPAC Name6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
SMILESBrc1ccc(-c2ccc3ccc(-c4ccc5cc(Nc6ccc(-c7ccc8ccccc8c7)cc6)ccc5c4)cc3c2)cc1
InChIInChI=1S/C42H28BrN/c43-40-18-13-29(14-19-40)34-9-6-31-7-10-36(26-39(31)25-34)35-11-12-38-27-42(22-17-37(38)24-35)44-41-20-15-30(16-21-41)33-8-5-28-3-1-2-4-32(28)23-33/h1-27,44H
InChIKeyRKXHKXBBNJYLFN-UHFFFAOYSA-N
XLogP12.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.60
LogP ≤ 512.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,6-diphenylnaphthalen-2-amine
CID 67205043
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
N-(4-chlorophenyl)-4-naphthalen-2-ylaniline
CID 58202585
N-pentacen-2-ylpentacen-2-amine
CID 91227915
N-(4-bromophenyl)-4-triphenylen-2-ylaniline
CID 58202576
N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline
CID 166769723
2-(4-bromophenyl)naphthalene;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159016137
2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 12541294
naphthalen-2-yl-[4-[4-(naphthalen-2-ylamino)phenyl]phenyl]-diphenylazanium
CID 22269510
2-[2-(4-bromophenyl)phenyl]naphthalene
CID 134433047
7-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 166714630
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
CID 177113997

Frequently Asked Questions

What is the IUPAC name of 6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine?
The IUPAC name of 6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine (CID 156573110) is 6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for 6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine?
The canonical SMILES for 6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine is Brc1ccc(-c2ccc3ccc(-c4ccc5cc(Nc6ccc(-c7ccc8ccccc8c7)cc6)ccc5c4)cc3c2)cc1.
What is the InChIKey of 6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine?
The InChIKey is RKXHKXBBNJYLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28BrN/c43-40-18-13-29(14-19-40)34-9-6-31-7-10-36(26-39(31)25-34)35-11-12-38-27-42(22-17-37(38)24-35)44-41-20-15-30(16-21-41)33-8-5-28-3-1-2-4-32(28)23-33/h1-27,44H.
What are the key properties of 6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine?
6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine has a molecular weight of 626.60 g/mol, XLogP of 12.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 156573110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).