2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine

C29H18ClN3 — CID 169039948

IUPAC2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccc4ccccc4c3)c2)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C29H18ClN3/c30-29-32-27(31-28(33-29)26-14-6-10-20-8-3-4-13-25(20)26)24-12-5-11-22(18-24)23-16-15-19-7-1-2-9-21(19)17-23/h1-18H
InChIKeyHDDIAXUOOZFWBH-UHFFFAOYSA-N
MW443.94 g/mol
LogP7.83
Rot. Bonds3

About 2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine

2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine (PubChem CID 169039948) has the molecular formula C29H18ClN3 and a molecular weight of 443.94 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
PubChem CID169039948
Molecular FormulaC29H18ClN3
Molecular Weight443.94 g/mol
Exact Mass443.12
IUPAC Name2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccc4ccccc4c3)c2)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C29H18ClN3/c30-29-32-27(31-28(33-29)26-14-6-10-20-8-3-4-13-25(20)26)24-12-5-11-22(18-24)23-16-15-19-7-1-2-9-21(19)17-23/h1-18H
InChIKeyHDDIAXUOOZFWBH-UHFFFAOYSA-N
XLogP7.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.94
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
CID 171598261
2-naphthalen-1-yl-4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 165098602
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 174244399
2-(3-chlorophenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 171469861
2-naphthalen-1-yl-4-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244397
2-chloro-4-[3-(2-phenanthren-1-ylphenyl)phenyl]-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 172509602
2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177076801
2-naphthalen-1-yl-4-[3-(2-naphthalen-2-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 169297170
2-naphthalen-1-yl-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 167133977
2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076693
2,4-dinaphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-naphthalen-2-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165099696

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine (CID 169039948) is 2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine is Clc1nc(-c2cccc(-c3ccc4ccccc4c3)c2)nc(-c2cccc3ccccc23)n1.
What is the InChIKey of 2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine?
The InChIKey is HDDIAXUOOZFWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18ClN3/c30-29-32-27(31-28(33-29)26-14-6-10-20-8-3-4-13-25(20)26)24-12-5-11-22(18-24)23-16-15-19-7-1-2-9-21(19)17-23/h1-18H.
What are the key properties of 2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine?
2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine has a molecular weight of 443.94 g/mol, XLogP of 7.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 169039948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).