2-chloro-4-phenyl-6-[3-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-6-yl]-1,3,5-triazine

C37H22ClN3S — CID 155096755

IUPAC2-chloro-4-phenyl-6-[3-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-6-yl]-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2c3ccccc3cc3c2sc2cc(-c4ccccc4-c4ccccc4)ccc23)n1
InChIInChI=1S/C37H22ClN3S/c38-37-40-35(24-13-5-2-6-14-24)39-36(41-37)33-29-18-8-7-15-25(29)21-31-30-20-19-26(22-32(30)42-34(31)33)28-17-10-9-16-27(28)23-11-3-1-4-12-23/h1-22H
InChIKeyKDHJBUAPJAGHIR-UHFFFAOYSA-N
MW576.12 g/mol
LogP10.71
Rot. Bonds4

About 2-chloro-4-phenyl-6-[3-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-6-yl]-1,3,5-triazine

2-chloro-4-phenyl-6-[3-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-6-yl]-1,3,5-triazine (PubChem CID 155096755) has the molecular formula C37H22ClN3S and a molecular weight of 576.12 g/mol. Its IUPAC name is 2-chloro-4-phenyl-6-[3-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-6-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-phenyl-6-[3-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-6-yl]-1,3,5-triazine
PubChem CID155096755
Molecular FormulaC37H22ClN3S
Molecular Weight576.12 g/mol
Exact Mass575.12
IUPAC Name2-chloro-4-phenyl-6-[3-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-6-yl]-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2c3ccccc3cc3c2sc2cc(-c4ccccc4-c4ccccc4)ccc23)n1
InChIInChI=1S/C37H22ClN3S/c38-37-40-35(24-13-5-2-6-14-24)39-36(41-37)33-29-18-8-7-15-25(29)21-31-30-20-19-26(22-32(30)42-34(31)33)28-17-10-9-16-27(28)23-11-3-1-4-12-23/h1-22H
InChIKeyKDHJBUAPJAGHIR-UHFFFAOYSA-N
XLogP10.71
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.12
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-(8-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine;2-phenyl-4-(7-phenyldibenzofuran-4-yl)-6-[3-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-6-yl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzothiophen-4-yl)-6-[7-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 158208811
2-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177278899
2-[7-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192093
2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251324
2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 156828340
2-[4-[4-(6,8-diphenyldibenzothiophen-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164838501
2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 118539812
2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine
CID 161201937
2,4-diphenyl-6-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199172
2-(3-phenanthren-3-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 146766875
2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 171588817
2-[8-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192267

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-6-[3-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-6-yl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-phenyl-6-[3-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-6-yl]-1,3,5-triazine (CID 155096755) is 2-chloro-4-phenyl-6-[3-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-6-yl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-phenyl-6-[3-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-6-yl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-phenyl-6-[3-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-6-yl]-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2c3ccccc3cc3c2sc2cc(-c4ccccc4-c4ccccc4)ccc23)n1.
What is the InChIKey of 2-chloro-4-phenyl-6-[3-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-6-yl]-1,3,5-triazine?
The InChIKey is KDHJBUAPJAGHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22ClN3S/c38-37-40-35(24-13-5-2-6-14-24)39-36(41-37)33-29-18-8-7-15-25(29)21-31-30-20-19-26(22-32(30)42-34(31)33)28-17-10-9-16-27(28)23-11-3-1-4-12-23/h1-22H.
What are the key properties of 2-chloro-4-phenyl-6-[3-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-6-yl]-1,3,5-triazine?
2-chloro-4-phenyl-6-[3-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-6-yl]-1,3,5-triazine has a molecular weight of 576.12 g/mol, XLogP of 10.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-6-[3-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-6-yl]-1,3,5-triazine is sourced from PubChem (CID 155096755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).