2-chloro-4-naphthalen-1-yl-6-naphtho[1,2-b][1]benzothiol-5-yl-1,3,5-triazine

C29H16ClN3S — CID 162700550

IUPAC2-chloro-4-naphthalen-1-yl-6-naphtho[1,2-b][1]benzothiol-5-yl-1,3,5-triazine
SMILESClc1nc(-c2cccc3ccccc23)nc(-c2cc3c4ccccc4sc3c3ccccc23)n1
InChIInChI=1S/C29H16ClN3S/c30-29-32-27(22-14-7-9-17-8-1-2-10-18(17)22)31-28(33-29)24-16-23-20-12-5-6-15-25(20)34-26(23)21-13-4-3-11-19(21)24/h1-16H
InChIKeyWOOINPLWBPIXOD-UHFFFAOYSA-N
MW473.99 g/mol
LogP8.53
Rot. Bonds2

About 2-chloro-4-naphthalen-1-yl-6-naphtho[1,2-b][1]benzothiol-5-yl-1,3,5-triazine

2-chloro-4-naphthalen-1-yl-6-naphtho[1,2-b][1]benzothiol-5-yl-1,3,5-triazine (PubChem CID 162700550) has the molecular formula C29H16ClN3S and a molecular weight of 473.99 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-1-yl-6-naphtho[1,2-b][1]benzothiol-5-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-naphthalen-1-yl-6-naphtho[1,2-b][1]benzothiol-5-yl-1,3,5-triazine
PubChem CID162700550
Molecular FormulaC29H16ClN3S
Molecular Weight473.99 g/mol
Exact Mass473.08
IUPAC Name2-chloro-4-naphthalen-1-yl-6-naphtho[1,2-b][1]benzothiol-5-yl-1,3,5-triazine
SMILESClc1nc(-c2cccc3ccccc23)nc(-c2cc3c4ccccc4sc3c3ccccc23)n1
InChIInChI=1S/C29H16ClN3S/c30-29-32-27(22-14-7-9-17-8-1-2-10-18(17)22)31-28(33-29)24-16-23-20-12-5-6-15-25(20)34-26(23)21-13-4-3-11-19(21)24/h1-16H
InChIKeyWOOINPLWBPIXOD-UHFFFAOYSA-N
XLogP8.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.99
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 118539812
2-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177278899
2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155481026
2,4-di(dibenzothiophen-4-yl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-1,3,5-triazine
CID 137393507
2-chloro-4-dibenzothiophen-2-yl-6-phenanthren-1-yl-1,3,5-triazine
CID 170691075
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
2-naphtho[1,2-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
CID 146658673
2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139441954
2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 156828340
2-dibenzothiophen-4-yl-4-(6-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 176587486
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139441909

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphthalen-1-yl-6-naphtho[1,2-b][1]benzothiol-5-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-naphthalen-1-yl-6-naphtho[1,2-b][1]benzothiol-5-yl-1,3,5-triazine (CID 162700550) is 2-chloro-4-naphthalen-1-yl-6-naphtho[1,2-b][1]benzothiol-5-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-naphthalen-1-yl-6-naphtho[1,2-b][1]benzothiol-5-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-naphthalen-1-yl-6-naphtho[1,2-b][1]benzothiol-5-yl-1,3,5-triazine is Clc1nc(-c2cccc3ccccc23)nc(-c2cc3c4ccccc4sc3c3ccccc23)n1.
What is the InChIKey of 2-chloro-4-naphthalen-1-yl-6-naphtho[1,2-b][1]benzothiol-5-yl-1,3,5-triazine?
The InChIKey is WOOINPLWBPIXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16ClN3S/c30-29-32-27(22-14-7-9-17-8-1-2-10-18(17)22)31-28(33-29)24-16-23-20-12-5-6-15-25(20)34-26(23)21-13-4-3-11-19(21)24/h1-16H.
What are the key properties of 2-chloro-4-naphthalen-1-yl-6-naphtho[1,2-b][1]benzothiol-5-yl-1,3,5-triazine?
2-chloro-4-naphthalen-1-yl-6-naphtho[1,2-b][1]benzothiol-5-yl-1,3,5-triazine has a molecular weight of 473.99 g/mol, XLogP of 8.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-naphthalen-1-yl-6-naphtho[1,2-b][1]benzothiol-5-yl-1,3,5-triazine is sourced from PubChem (CID 162700550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).