2-(4-naphtho[3,2-b][1]benzothiol-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine

C41H25N3S — CID 155474116

IUPAC2-(4-naphtho[3,2-b][1]benzothiol-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5cc6c(cc5c4)sc4ccccc46)c4ccccc4c3)n2)cc1
InChIInChI=1S/C41H25N3S/c1-3-11-26(12-4-1)39-42-40(27-13-5-2-6-14-27)44-41(43-39)32-22-29-15-7-8-16-33(29)35(24-32)30-20-19-28-23-36-34-17-9-10-18-37(34)45-38(36)25-31(28)21-30/h1-25H
InChIKeyUGCLMRQHIQOPKG-UHFFFAOYSA-N
MW591.74 g/mol
LogP11.21
Rot. Bonds4

About 2-(4-naphtho[3,2-b][1]benzothiol-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine

2-(4-naphtho[3,2-b][1]benzothiol-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 155474116) has the molecular formula C41H25N3S and a molecular weight of 591.74 g/mol. Its IUPAC name is 2-(4-naphtho[3,2-b][1]benzothiol-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-naphtho[3,2-b][1]benzothiol-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID155474116
Molecular FormulaC41H25N3S
Molecular Weight591.74 g/mol
Exact Mass591.18
IUPAC Name2-(4-naphtho[3,2-b][1]benzothiol-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5cc6c(cc5c4)sc4ccccc46)c4ccccc4c3)n2)cc1
InChIInChI=1S/C41H25N3S/c1-3-11-26(12-4-1)39-42-40(27-13-5-2-6-14-27)44-41(43-39)32-22-29-15-7-8-16-33(29)35(24-32)30-20-19-28-23-36-34-17-9-10-18-37(34)45-38(36)25-31(28)21-30/h1-25H
InChIKeyUGCLMRQHIQOPKG-UHFFFAOYSA-N
XLogP11.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.74
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-dibenzothiophen-3-ylnaphthalen-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(4-dibenzothiophen-3-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(5-dibenzothiophen-2-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 165010752
2-naphthalen-1-yl-4-naphtho[3,2-b][1]benzothiol-8-yl-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-naphtho[7,6-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzothiol-9-yl-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[6,7-b][1]benzothiol-10-yl-6-phenyl-1,3,5-triazine;2-naphtho[7,6-b][1]benzothiol-7-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159558563
2-(3-naphtho[2,3-b][1]benzofuran-9-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphtho[3,2-b][1]benzofuran-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzothiol-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162105270
2-(1-phenanthren-2-yldibenzothiophen-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 174328600
22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-naphthalen-2-yl-10-thia-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene
CID 118668002
2-dibenzothiophen-4-yl-4-(7-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168744219
2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545497
2-dibenzothiophen-3-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 156673310
2-dibenzothiophen-3-yl-4-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazine
CID 162504462
2-(3-dibenzothiophen-3-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(3-dibenzothiophen-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 165036046
2-(4-dibenzothiophen-3-ylphenyl)-4-(5-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172509468
2-[4-[8-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 171596917

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphtho[3,2-b][1]benzothiol-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(4-naphtho[3,2-b][1]benzothiol-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 155474116) is 2-(4-naphtho[3,2-b][1]benzothiol-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-naphtho[3,2-b][1]benzothiol-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-naphtho[3,2-b][1]benzothiol-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5cc6c(cc5c4)sc4ccccc46)c4ccccc4c3)n2)cc1.
What is the InChIKey of 2-(4-naphtho[3,2-b][1]benzothiol-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is UGCLMRQHIQOPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3S/c1-3-11-26(12-4-1)39-42-40(27-13-5-2-6-14-27)44-41(43-39)32-22-29-15-7-8-16-33(29)35(24-32)30-20-19-28-23-36-34-17-9-10-18-37(34)45-38(36)25-31(28)21-30/h1-25H.
What are the key properties of 2-(4-naphtho[3,2-b][1]benzothiol-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine?
2-(4-naphtho[3,2-b][1]benzothiol-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 591.74 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphtho[3,2-b][1]benzothiol-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155474116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).