2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

C27H20ClN3 — CID 129197599

IUPAC2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESClc1ccc(-c2ccc(C3=NC(c4ccccc4)N=C(c4ccccc4)N3)cc2)cc1
InChIInChI=1S/C27H20ClN3/c28-24-17-15-20(16-18-24)19-11-13-23(14-12-19)27-30-25(21-7-3-1-4-8-21)29-26(31-27)22-9-5-2-6-10-22/h1-18,25H,(H,29,30,31)
InChIKeyYTGBPHJPPQQDOE-UHFFFAOYSA-N
MW421.93 g/mol
LogP6.50
Rot. Bonds4

About 2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 129197599) has the molecular formula C27H20ClN3 and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID129197599
Molecular FormulaC27H20ClN3
Molecular Weight421.93 g/mol
Exact Mass421.13
IUPAC Name2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESClc1ccc(-c2ccc(C3=NC(c4ccccc4)N=C(c4ccccc4)N3)cc2)cc1
InChIInChI=1S/C27H20ClN3/c28-24-17-15-20(16-18-24)19-11-13-23(14-12-19)27-30-25(21-7-3-1-4-8-21)29-26(31-27)22-9-5-2-6-10-22/h1-18,25H,(H,29,30,31)
InChIKeyYTGBPHJPPQQDOE-UHFFFAOYSA-N
XLogP6.50
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 129197599) is 2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is Clc1ccc(-c2ccc(C3=NC(c4ccccc4)N=C(c4ccccc4)N3)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is YTGBPHJPPQQDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3/c28-24-17-15-20(16-18-24)19-11-13-23(14-12-19)27-30-25(21-7-3-1-4-8-21)29-26(31-27)22-9-5-2-6-10-22/h1-18,25H,(H,29,30,31).
What are the key properties of 2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 421.93 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 129197599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).