2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine

C25H16ClN3 — CID 171588817

IUPAC2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2c(-c3ccccc3)ccc3ccccc23)n1
InChIInChI=1S/C25H16ClN3/c26-25-28-23(19-12-5-2-6-13-19)27-24(29-25)22-20-14-8-7-11-18(20)15-16-21(22)17-9-3-1-4-10-17/h1-16H
InChIKeyKGJBEFZDQKNJQP-UHFFFAOYSA-N
MW393.88 g/mol
LogP6.68
Rot. Bonds3

About 2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine

2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 171588817) has the molecular formula C25H16ClN3 and a molecular weight of 393.88 g/mol. Its IUPAC name is 2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID171588817
Molecular FormulaC25H16ClN3
Molecular Weight393.88 g/mol
Exact Mass393.10
IUPAC Name2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2c(-c3ccccc3)ccc3ccccc23)n1
InChIInChI=1S/C25H16ClN3/c26-25-28-23(19-12-5-2-6-13-19)27-24(29-25)22-20-14-8-7-11-18(20)15-16-21(22)17-9-3-1-4-10-17/h1-16H
InChIKeyKGJBEFZDQKNJQP-UHFFFAOYSA-N
XLogP6.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.88
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169039928
2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 176632194
2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171439560
2-naphthalen-2-yl-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165027661
2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277591
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 129101507
2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 155105161
2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177076801
1,2-diphenylnaphthalene
CID 11208267
2-(1-phenylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176632434
2-[2-[4-(3-isocyanophenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 158503468

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 171588817) is 2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2c(-c3ccccc3)ccc3ccccc23)n1.
What is the InChIKey of 2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is KGJBEFZDQKNJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN3/c26-25-28-23(19-12-5-2-6-13-19)27-24(29-25)22-20-14-8-7-11-18(20)15-16-21(22)17-9-3-1-4-10-17/h1-16H.
What are the key properties of 2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine?
2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 393.88 g/mol, XLogP of 6.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 171588817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).