4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinazoline

C23H14ClN5 — CID 164799829

IUPAC4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinazoline
SMILESClc1nc(-c2ccccc2)nc(-c2ccc(-c3ncnc4ccccc34)cc2)n1
InChIInChI=1S/C23H14ClN5/c24-23-28-21(16-6-2-1-3-7-16)27-22(29-23)17-12-10-15(11-13-17)20-18-8-4-5-9-19(18)25-14-26-20/h1-14H
InChIKeyURLSDKAMAQXXGW-UHFFFAOYSA-N
MW395.85 g/mol
LogP5.47
Rot. Bonds3

About 4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinazoline

4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinazoline (PubChem CID 164799829) has the molecular formula C23H14ClN5 and a molecular weight of 395.85 g/mol. Its IUPAC name is 4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinazoline.

Molecular Properties

Compound Name4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinazoline
PubChem CID164799829
Molecular FormulaC23H14ClN5
Molecular Weight395.85 g/mol
Exact Mass395.09
IUPAC Name4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinazoline
SMILESClc1nc(-c2ccccc2)nc(-c2ccc(-c3ncnc4ccccc34)cc2)n1
InChIInChI=1S/C23H14ClN5/c24-23-28-21(16-6-2-1-3-7-16)27-22(29-23)17-12-10-15(11-13-17)20-18-8-4-5-9-19(18)25-14-26-20/h1-14H
InChIKeyURLSDKAMAQXXGW-UHFFFAOYSA-N
XLogP5.47
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.85
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171439560
4-naphthalen-2-ylquinazoline
CID 58881337
2-chloro-4-(4-methylphenyl)quinazoline
CID 3122268
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 156561648
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 142751330
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
7-naphthalen-1-yl-4-(4-phenylphenyl)quinazoline
CID 159038864
2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 123546565
2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177076801

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinazoline?
The IUPAC name of 4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinazoline (CID 164799829) is 4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinazoline.
What is the SMILES notation for 4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinazoline?
The canonical SMILES for 4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinazoline is Clc1nc(-c2ccccc2)nc(-c2ccc(-c3ncnc4ccccc34)cc2)n1.
What is the InChIKey of 4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinazoline?
The InChIKey is URLSDKAMAQXXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClN5/c24-23-28-21(16-6-2-1-3-7-16)27-22(29-23)17-12-10-15(11-13-17)20-18-8-4-5-9-19(18)25-14-26-20/h1-14H.
What are the key properties of 4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinazoline?
4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinazoline has a molecular weight of 395.85 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinazoline is sourced from PubChem (CID 164799829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).