1-chloro-2,3-diphenylbenzene;triazine

C21H16ClN3 — CID 175304154

IUPAC1-chloro-2,3-diphenylbenzene;triazine
SMILESClc1cccc(-c2ccccc2)c1-c1ccccc1.c1cnnnc1
InChIInChI=1S/C18H13Cl.C3H3N3/c19-17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15;1-2-4-6-5-3-1/h1-13H;1-3H
InChIKeyBEQDBHDKOCCXRJ-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.55
Rot. Bonds2

About 1-chloro-2,3-diphenylbenzene;triazine

1-chloro-2,3-diphenylbenzene;triazine (PubChem CID 175304154) has the molecular formula C21H16ClN3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-chloro-2,3-diphenylbenzene;triazine.

Molecular Properties

Compound Name1-chloro-2,3-diphenylbenzene;triazine
PubChem CID175304154
Molecular FormulaC21H16ClN3
Molecular Weight345.83 g/mol
Exact Mass345.10
IUPAC Name1-chloro-2,3-diphenylbenzene;triazine
SMILESClc1cccc(-c2ccccc2)c1-c1ccccc1.c1cnnnc1
InChIInChI=1S/C18H13Cl.C3H3N3/c19-17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15;1-2-4-6-5-3-1/h1-13H;1-3H
InChIKeyBEQDBHDKOCCXRJ-UHFFFAOYSA-N
XLogP5.55
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3-diphenylbenzene;triazine?
The IUPAC name of 1-chloro-2,3-diphenylbenzene;triazine (CID 175304154) is 1-chloro-2,3-diphenylbenzene;triazine.
What is the SMILES notation for 1-chloro-2,3-diphenylbenzene;triazine?
The canonical SMILES for 1-chloro-2,3-diphenylbenzene;triazine is Clc1cccc(-c2ccccc2)c1-c1ccccc1.c1cnnnc1.
What is the InChIKey of 1-chloro-2,3-diphenylbenzene;triazine?
The InChIKey is BEQDBHDKOCCXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl.C3H3N3/c19-17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15;1-2-4-6-5-3-1/h1-13H;1-3H.
What are the key properties of 1-chloro-2,3-diphenylbenzene;triazine?
1-chloro-2,3-diphenylbenzene;triazine has a molecular weight of 345.83 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3-diphenylbenzene;triazine is sourced from PubChem (CID 175304154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).