4-(4-bromonaphthalen-1-yl)-N,N-diphenylnaphthalen-1-amine

C32H22BrN — CID 121327935

IUPAC4-(4-bromonaphthalen-1-yl)-N,N-diphenylnaphthalen-1-amine
SMILESBrc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C32H22BrN/c33-31-21-19-27(25-15-7-9-17-29(25)31)28-20-22-32(30-18-10-8-16-26(28)30)34(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-22H
InChIKeyLPLANICIEZGCOQ-UHFFFAOYSA-N
MW500.44 g/mol
LogP9.89
Rot. Bonds4

About 4-(4-bromonaphthalen-1-yl)-N,N-diphenylnaphthalen-1-amine

4-(4-bromonaphthalen-1-yl)-N,N-diphenylnaphthalen-1-amine (PubChem CID 121327935) has the molecular formula C32H22BrN and a molecular weight of 500.44 g/mol. Its IUPAC name is 4-(4-bromonaphthalen-1-yl)-N,N-diphenylnaphthalen-1-amine.

Molecular Properties

Compound Name4-(4-bromonaphthalen-1-yl)-N,N-diphenylnaphthalen-1-amine
PubChem CID121327935
Molecular FormulaC32H22BrN
Molecular Weight500.44 g/mol
Exact Mass499.09
IUPAC Name4-(4-bromonaphthalen-1-yl)-N,N-diphenylnaphthalen-1-amine
SMILESBrc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C32H22BrN/c33-31-21-19-27(25-15-7-9-17-29(25)31)28-20-22-32(30-18-10-8-16-26(28)30)34(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-22H
InChIKeyLPLANICIEZGCOQ-UHFFFAOYSA-N
XLogP9.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.44
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromonaphthalen-1-yl)-N,N-diphenylnaphthalen-1-amine?
The IUPAC name of 4-(4-bromonaphthalen-1-yl)-N,N-diphenylnaphthalen-1-amine (CID 121327935) is 4-(4-bromonaphthalen-1-yl)-N,N-diphenylnaphthalen-1-amine.
What is the SMILES notation for 4-(4-bromonaphthalen-1-yl)-N,N-diphenylnaphthalen-1-amine?
The canonical SMILES for 4-(4-bromonaphthalen-1-yl)-N,N-diphenylnaphthalen-1-amine is Brc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)c3ccccc23)c2ccccc12.
What is the InChIKey of 4-(4-bromonaphthalen-1-yl)-N,N-diphenylnaphthalen-1-amine?
The InChIKey is LPLANICIEZGCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22BrN/c33-31-21-19-27(25-15-7-9-17-29(25)31)28-20-22-32(30-18-10-8-16-26(28)30)34(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-22H.
What are the key properties of 4-(4-bromonaphthalen-1-yl)-N,N-diphenylnaphthalen-1-amine?
4-(4-bromonaphthalen-1-yl)-N,N-diphenylnaphthalen-1-amine has a molecular weight of 500.44 g/mol, XLogP of 9.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromonaphthalen-1-yl)-N,N-diphenylnaphthalen-1-amine is sourced from PubChem (CID 121327935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).