6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphthalen-2-amine

C37H26N4 — CID 23527778

IUPAC6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphthalen-2-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(N(c5ccccc5)c5ccccc5)ccc4c3)n2)cc1
InChIInChI=1S/C37H26N4/c1-5-13-27(14-6-1)35-38-36(28-15-7-2-8-16-28)40-37(39-35)31-22-21-30-26-34(24-23-29(30)25-31)41(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-26H
InChIKeyJEXZQDUGUUYXHY-UHFFFAOYSA-N
MW526.64 g/mol
LogP9.50
Rot. Bonds6

About 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphthalen-2-amine

6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphthalen-2-amine (PubChem CID 23527778) has the molecular formula C37H26N4 and a molecular weight of 526.64 g/mol. Its IUPAC name is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphthalen-2-amine.

Molecular Properties

Compound Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphthalen-2-amine
PubChem CID23527778
Molecular FormulaC37H26N4
Molecular Weight526.64 g/mol
Exact Mass526.22
IUPAC Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphthalen-2-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(N(c5ccccc5)c5ccccc5)ccc4c3)n2)cc1
InChIInChI=1S/C37H26N4/c1-5-13-27(14-6-1)35-38-36(28-15-7-2-8-16-28)40-37(39-35)31-22-21-30-26-34(24-23-29(30)25-31)41(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-26H
InChIKeyJEXZQDUGUUYXHY-UHFFFAOYSA-N
XLogP9.50
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphthalen-2-amine?
The IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphthalen-2-amine (CID 23527778) is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphthalen-2-amine.
What is the SMILES notation for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphthalen-2-amine?
The canonical SMILES for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphthalen-2-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(N(c5ccccc5)c5ccccc5)ccc4c3)n2)cc1.
What is the InChIKey of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphthalen-2-amine?
The InChIKey is JEXZQDUGUUYXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N4/c1-5-13-27(14-6-1)35-38-36(28-15-7-2-8-16-28)40-37(39-35)31-22-21-30-26-34(24-23-29(30)25-31)41(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-26H.
What are the key properties of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphthalen-2-amine?
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphthalen-2-amine has a molecular weight of 526.64 g/mol, XLogP of 9.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphthalen-2-amine is sourced from PubChem (CID 23527778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).