2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine

C31H20ClN3 — CID 170691035

IUPAC2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2ccc3ccc(-c4ccccc4)cc3c2)nc(-c2ccccc2-c2ccccc2)n1
InChIInChI=1S/C31H20ClN3/c32-31-34-29(33-30(35-31)28-14-8-7-13-27(28)23-11-5-2-6-12-23)25-18-16-22-15-17-24(19-26(22)20-25)21-9-3-1-4-10-21/h1-20H
InChIKeyQPHTWMQRTDWMGZ-UHFFFAOYSA-N
MW469.98 g/mol
LogP8.35
Rot. Bonds4

About 2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine

2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 170691035) has the molecular formula C31H20ClN3 and a molecular weight of 469.98 g/mol. Its IUPAC name is 2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID170691035
Molecular FormulaC31H20ClN3
Molecular Weight469.98 g/mol
Exact Mass469.13
IUPAC Name2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2ccc3ccc(-c4ccccc4)cc3c2)nc(-c2ccccc2-c2ccccc2)n1
InChIInChI=1S/C31H20ClN3/c32-31-34-29(33-30(35-31)28-14-8-7-13-27(28)23-11-5-2-6-12-23)25-18-16-22-15-17-24(19-26(22)20-25)21-9-3-1-4-10-21/h1-20H
InChIKeyQPHTWMQRTDWMGZ-UHFFFAOYSA-N
XLogP8.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.98
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(2-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 171731283
2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 164745875
2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 123986773
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-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166022200
2-naphthalen-2-yl-4-[2-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[2-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 164991362
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 165078366
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166022207
2-(3-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052348
CID 161032675
CID 161032675
2-[3-(4-chlorophenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 154697410
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-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine (CID 170691035) is 2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine is Clc1nc(-c2ccc3ccc(-c4ccccc4)cc3c2)nc(-c2ccccc2-c2ccccc2)n1.
What is the InChIKey of 2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is QPHTWMQRTDWMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20ClN3/c32-31-34-29(33-30(35-31)28-14-8-7-13-27(28)23-11-5-2-6-12-23)25-18-16-22-15-17-24(19-26(22)20-25)21-9-3-1-4-10-21/h1-20H.
What are the key properties of 2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 469.98 g/mol, XLogP of 8.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170691035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).