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

C31H20ClN3 — CID 171439560

IUPAC2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc(-c3ccc(-c4ccccc4)c4ccccc34)cc2)n1
InChIInChI=1S/C31H20ClN3/c32-31-34-29(23-11-5-2-6-12-23)33-30(35-31)24-17-15-22(16-18-24)26-20-19-25(21-9-3-1-4-10-21)27-13-7-8-14-28(26)27/h1-20H
InChIKeyVNBXPYIUPSYDMB-UHFFFAOYSA-N
MW469.98 g/mol
LogP8.35
Rot. Bonds4

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

2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine (PubChem CID 171439560) has the molecular formula C31H20ClN3 and a molecular weight of 469.98 g/mol. Its IUPAC name is 2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
PubChem CID171439560
Molecular FormulaC31H20ClN3
Molecular Weight469.98 g/mol
Exact Mass469.13
IUPAC Name2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc(-c3ccc(-c4ccccc4)c4ccccc34)cc2)n1
InChIInChI=1S/C31H20ClN3/c32-31-34-29(23-11-5-2-6-12-23)33-30(35-31)24-17-15-22(16-18-24)26-20-19-25(21-9-3-1-4-10-21)27-13-7-8-14-28(26)27/h1-20H
InChIKeyVNBXPYIUPSYDMB-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-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 171588817
2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 123986773
2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177076801
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
2,4-diphenyl-6-[4-[4-(3,5,6-triphenylpyrazin-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 156562540
2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 123546565
4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937
2-chloro-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-chloro-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-chloro-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 163978951
2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138505665
2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 177278821
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine (CID 171439560) is 2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2ccc(-c3ccc(-c4ccccc4)c4ccccc34)cc2)n1.
What is the InChIKey of 2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine?
The InChIKey is VNBXPYIUPSYDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20ClN3/c32-31-34-29(23-11-5-2-6-12-23)33-30(35-31)24-17-15-22(16-18-24)26-20-19-25(21-9-3-1-4-10-21)27-13-7-8-14-28(26)27/h1-20H.
What are the key properties of 2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine?
2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-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-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 171439560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).