2,4-bis(3-chloro-5-phenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine

C37H23Cl2N3 — CID 58526505

IUPAC2,4-bis(3-chloro-5-phenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESClc1cc(-c2ccccc2)cc(-c2nc(-c3cc(Cl)cc(-c4ccccc4)c3)nc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C37H23Cl2N3/c38-33-20-29(24-9-3-1-4-10-24)18-31(22-33)36-40-35(28-16-15-26-13-7-8-14-27(26)17-28)41-37(42-36)32-19-30(21-34(39)23-32)25-11-5-2-6-12-25/h1-23H
InChIKeyBFEATBRPXHNCSX-UHFFFAOYSA-N
MW580.52 g/mol
LogP10.67
Rot. Bonds5

About 2,4-bis(3-chloro-5-phenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine

2,4-bis(3-chloro-5-phenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 58526505) has the molecular formula C37H23Cl2N3 and a molecular weight of 580.52 g/mol. Its IUPAC name is 2,4-bis(3-chloro-5-phenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3-chloro-5-phenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID58526505
Molecular FormulaC37H23Cl2N3
Molecular Weight580.52 g/mol
Exact Mass579.13
IUPAC Name2,4-bis(3-chloro-5-phenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESClc1cc(-c2ccccc2)cc(-c2nc(-c3cc(Cl)cc(-c4ccccc4)c3)nc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C37H23Cl2N3/c38-33-20-29(24-9-3-1-4-10-24)18-31(22-33)36-40-35(28-16-15-26-13-7-8-14-27(26)17-28)41-37(42-36)32-19-30(21-34(39)23-32)25-11-5-2-6-12-25/h1-23H
InChIKeyBFEATBRPXHNCSX-UHFFFAOYSA-N
XLogP10.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.52
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-chloro-5-phenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2,4-bis(3-chloro-5-phenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine (CID 58526505) is 2,4-bis(3-chloro-5-phenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3-chloro-5-phenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3-chloro-5-phenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine is Clc1cc(-c2ccccc2)cc(-c2nc(-c3cc(Cl)cc(-c4ccccc4)c3)nc(-c3ccc4ccccc4c3)n2)c1.
What is the InChIKey of 2,4-bis(3-chloro-5-phenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is BFEATBRPXHNCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23Cl2N3/c38-33-20-29(24-9-3-1-4-10-24)18-31(22-33)36-40-35(28-16-15-26-13-7-8-14-27(26)17-28)41-37(42-36)32-19-30(21-34(39)23-32)25-11-5-2-6-12-25/h1-23H.
What are the key properties of 2,4-bis(3-chloro-5-phenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine?
2,4-bis(3-chloro-5-phenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 580.52 g/mol, XLogP of 10.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-chloro-5-phenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 58526505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).