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

C27H18ClN3 — CID 22476006

IUPAC2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C27H18ClN3/c28-27-30-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)29-26(31-27)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
InChIKeyFVQBRDRAILXTMJ-UHFFFAOYSA-N
MW419.92 g/mol
LogP7.19
Rot. Bonds4

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

2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 22476006) has the molecular formula C27H18ClN3 and a molecular weight of 419.92 g/mol. Its IUPAC name is 2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID22476006
Molecular FormulaC27H18ClN3
Molecular Weight419.92 g/mol
Exact Mass419.12
IUPAC Name2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C27H18ClN3/c28-27-30-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)29-26(31-27)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
InChIKeyFVQBRDRAILXTMJ-UHFFFAOYSA-N
XLogP7.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.92
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 142751330
2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171439560
2-chloro-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 126755474
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166022207
2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 123986773
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166022200
2-tert-butyl-4-chloro-6-(4-phenylphenyl)-1,3,5-triazine
CID 156828221
2-chloro-4-(2-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 171731283
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
2-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine
CID 169040020
2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425266

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 22476006) is 2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine is Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is FVQBRDRAILXTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClN3/c28-27-30-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)29-26(31-27)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H.
What are the key properties of 2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 419.92 g/mol, XLogP of 7.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 22476006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).