2-chloro-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine

C37H22ClN3S — CID 138519538

IUPAC2-chloro-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc3sc4c(-c5cccc(-c6ccccc6)c5)cc5ccccc5c4c3c2)n1
InChIInChI=1S/C37H22ClN3S/c38-37-40-35(24-12-5-2-6-13-24)39-36(41-37)28-18-19-32-31(22-28)33-29-17-8-7-14-27(29)21-30(34(33)42-32)26-16-9-15-25(20-26)23-10-3-1-4-11-23/h1-22H
InChIKeyVVISBZFYWYXTSX-UHFFFAOYSA-N
MW576.12 g/mol
LogP10.71
Rot. Bonds4

About 2-chloro-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine

2-chloro-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine (PubChem CID 138519538) has the molecular formula C37H22ClN3S and a molecular weight of 576.12 g/mol. Its IUPAC name is 2-chloro-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine
PubChem CID138519538
Molecular FormulaC37H22ClN3S
Molecular Weight576.12 g/mol
Exact Mass575.12
IUPAC Name2-chloro-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc3sc4c(-c5cccc(-c6ccccc6)c5)cc5ccccc5c4c3c2)n1
InChIInChI=1S/C37H22ClN3S/c38-37-40-35(24-12-5-2-6-13-24)39-36(41-37)28-18-19-32-31(22-28)33-29-17-8-7-14-27(29)21-30(34(33)42-32)26-16-9-15-25(20-26)23-10-3-1-4-11-23/h1-22H
InChIKeyVVISBZFYWYXTSX-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

2,4-diphenyl-6-[3-[3-[6-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-1,3,5-triazine
CID 134430186
2,4-diphenyl-6-[3-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-1,3,5-triazine
CID 134299695
2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 158906470
2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 156828340
2-chloro-4-(7-phenylnaphtho[1,2-b][1]benzothiol-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 154603772
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-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845132
6-(3-triphenylen-2-ylphenyl)naphtho[2,1-b][1]benzothiole
CID 152839669
2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-6-yl-6-phenyl-1,3,5-triazine
CID 166042750
4-[3-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzothiol-8-yl]-5H-benzo[b]carbazole
CID 142570011
8-[4-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]dibenzothiophen-2-yl]-7H-benzo[c]carbazole
CID 142570032
2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 135379549

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine (CID 138519538) is 2-chloro-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2ccc3sc4c(-c5cccc(-c6ccccc6)c5)cc5ccccc5c4c3c2)n1.
What is the InChIKey of 2-chloro-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine?
The InChIKey is VVISBZFYWYXTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22ClN3S/c38-37-40-35(24-12-5-2-6-13-24)39-36(41-37)28-18-19-32-31(22-28)33-29-17-8-7-14-27(29)21-30(34(33)42-32)26-16-9-15-25(20-26)23-10-3-1-4-11-23/h1-22H.
What are the key properties of 2-chloro-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine?
2-chloro-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-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-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine is sourced from PubChem (CID 138519538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).