2-(3-chlorodibenzothiophen-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

C35H20ClN3S — CID 155040144

IUPAC2-(3-chlorodibenzothiophen-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESClc1ccc2c(sc3ccccc32)c1-c1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C35H20ClN3S/c36-29-18-17-28-27-11-5-6-12-30(27)40-32(28)31(29)35-38-33(25-15-13-21-7-1-3-9-23(21)19-25)37-34(39-35)26-16-14-22-8-2-4-10-24(22)20-26/h1-20H
InChIKeyZAXYAZRFQGNSAT-UHFFFAOYSA-N
MW550.09 g/mol
LogP10.20
Rot. Bonds3

About 2-(3-chlorodibenzothiophen-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-(3-chlorodibenzothiophen-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 155040144) has the molecular formula C35H20ClN3S and a molecular weight of 550.09 g/mol. Its IUPAC name is 2-(3-chlorodibenzothiophen-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-chlorodibenzothiophen-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID155040144
Molecular FormulaC35H20ClN3S
Molecular Weight550.09 g/mol
Exact Mass549.11
IUPAC Name2-(3-chlorodibenzothiophen-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESClc1ccc2c(sc3ccccc32)c1-c1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C35H20ClN3S/c36-29-18-17-28-27-11-5-6-12-30(27)40-32(28)31(29)35-38-33(25-15-13-21-7-1-3-9-23(21)19-25)37-34(39-35)26-16-14-22-8-2-4-10-24(22)20-26/h1-20H
InChIKeyZAXYAZRFQGNSAT-UHFFFAOYSA-N
XLogP10.20
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.09
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9-chloronaphtho[2,1-b][1]benzothiol-8-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 155040517
2-(1-chlorodibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 155040137
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177119517
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 139441907
2-(3-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-5-yl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176853898
2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 163642676
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441895
2-(3-phenanthren-3-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 146766875
2-dibenzothiophen-3-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845041
2-naphthalen-2-yl-4-phenyl-6-(3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-1,3,5-triazine
CID 164721420
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 155480695
2-dibenzothiophen-3-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176587942

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorodibenzothiophen-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(3-chlorodibenzothiophen-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 155040144) is 2-(3-chlorodibenzothiophen-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(3-chlorodibenzothiophen-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(3-chlorodibenzothiophen-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is Clc1ccc2c(sc3ccccc32)c1-c1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 2-(3-chlorodibenzothiophen-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is ZAXYAZRFQGNSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20ClN3S/c36-29-18-17-28-27-11-5-6-12-30(27)40-32(28)31(29)35-38-33(25-15-13-21-7-1-3-9-23(21)19-25)37-34(39-35)26-16-14-22-8-2-4-10-24(22)20-26/h1-20H.
What are the key properties of 2-(3-chlorodibenzothiophen-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-(3-chlorodibenzothiophen-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 550.09 g/mol, XLogP of 10.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorodibenzothiophen-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 155040144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).