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

C29H18ClN3 — CID 164745875

IUPAC2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccc3ccccc3c2)nc(-c2cc3ccccc3cc2-c2ccccc2)n1
InChIInChI=1S/C29H18ClN3/c30-29-32-27(24-15-14-19-8-4-5-11-21(19)16-24)31-28(33-29)26-18-23-13-7-6-12-22(23)17-25(26)20-9-2-1-3-10-20/h1-18H
InChIKeyCBDMOZPVFCRNHA-UHFFFAOYSA-N
MW443.94 g/mol
LogP7.83
Rot. Bonds3

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

2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine (PubChem CID 164745875) has the molecular formula C29H18ClN3 and a molecular weight of 443.94 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine
PubChem CID164745875
Molecular FormulaC29H18ClN3
Molecular Weight443.94 g/mol
Exact Mass443.12
IUPAC Name2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccc3ccccc3c2)nc(-c2cc3ccccc3cc2-c2ccccc2)n1
InChIInChI=1S/C29H18ClN3/c30-29-32-27(24-15-14-19-8-4-5-11-21(19)16-24)31-28(33-29)26-18-23-13-7-6-12-22(23)17-25(26)20-9-2-1-3-10-20/h1-18H
InChIKeyCBDMOZPVFCRNHA-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-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 170691035
2-chloro-4-(2-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 171731283
2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164745860
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166022200
2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302466
2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 169039948
2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177076801
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 165078366
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 169297430
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166022207
2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine
CID 165041831
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169297350

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine (CID 164745875) is 2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine is Clc1nc(-c2ccc3ccccc3c2)nc(-c2cc3ccccc3cc2-c2ccccc2)n1.
What is the InChIKey of 2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is CBDMOZPVFCRNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18ClN3/c30-29-32-27(24-15-14-19-8-4-5-11-21(19)16-24)31-28(33-29)26-18-23-13-7-6-12-22(23)17-25(26)20-9-2-1-3-10-20/h1-18H.
What are the key properties of 2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine?
2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-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-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 164745875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).