2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-phenyl-4-(9-phenylnaphtho[2,1-b][1]benzothiol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C137H85N9S3 — CID 165012636

IUPAC2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-phenyl-4-(9-phenylnaphtho[2,1-b][1]benzothiol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc4sc5cc(-c6nc(-c7ccccc7)nc(-c7cccc8ccccc78)n6)c6ccccc6c5c4c3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5sc6cc(-c7ccccc7)ccc6c5c5ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4sc5c(-c6ccc(-c7ccc8ccccc8c7)cc6)cccc5c4c4ccccc34)n2)cc1
InChIInChI=1S/2C47H29N3S.C43H27N3S/c1-3-13-33(14-4-1)45-48-46(34-15-5-2-6-16-34)50-47(49-45)41-29-42-43(39-19-10-9-18-38(39)41)40-21-11-20-37(44(40)51-42)32-25-22-31(23-26-32)36-27-24-30-12-7-8-17-35(30)28-36;1-3-12-30(13-4-1)31-22-24-32(25-23-31)35-26-27-42-41(28-35)44-38-20-10-9-19-37(38)40(29-43(44)51-42)47-49-45(34-15-5-2-6-16-34)48-46(50-47)39-21-11-17-33-14-7-8-18-36(33)39;1-4-12-28(13-5-1)30-20-22-32(23-21-30)42-44-41(31-16-8-3-9-17-31)45-43(46-42)37-27-39-40(35-19-11-10-18-34(35)37)36-25-24-33(26-38(36)47-39)29-14-6-2-7-15-29/h2*1-29H;1-27H
InChIKeyJXWVBQPREPXABC-UHFFFAOYSA-N
MW1953.45 g/mol
LogP37.49
Rot. Bonds15

About 2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-phenyl-4-(9-phenylnaphtho[2,1-b][1]benzothiol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-phenyl-4-(9-phenylnaphtho[2,1-b][1]benzothiol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 165012636) has the molecular formula C137H85N9S3 and a molecular weight of 1953.45 g/mol. Its IUPAC name is 2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-phenyl-4-(9-phenylnaphtho[2,1-b][1]benzothiol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-phenyl-4-(9-phenylnaphtho[2,1-b][1]benzothiol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID165012636
Molecular FormulaC137H85N9S3
Molecular Weight1953.45 g/mol
Exact Mass1951.61
IUPAC Name2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-phenyl-4-(9-phenylnaphtho[2,1-b][1]benzothiol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc4sc5cc(-c6nc(-c7ccccc7)nc(-c7cccc8ccccc78)n6)c6ccccc6c5c4c3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5sc6cc(-c7ccccc7)ccc6c5c5ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4sc5c(-c6ccc(-c7ccc8ccccc8c7)cc6)cccc5c4c4ccccc34)n2)cc1
InChIInChI=1S/2C47H29N3S.C43H27N3S/c1-3-13-33(14-4-1)45-48-46(34-15-5-2-6-16-34)50-47(49-45)41-29-42-43(39-19-10-9-18-38(39)41)40-21-11-20-37(44(40)51-42)32-25-22-31(23-26-32)36-27-24-30-12-7-8-17-35(30)28-36;1-3-12-30(13-4-1)31-22-24-32(25-23-31)35-26-27-42-41(28-35)44-38-20-10-9-19-37(38)40(29-43(44)51-42)47-49-45(34-15-5-2-6-16-34)48-46(50-47)39-21-11-17-33-14-7-8-18-36(33)39;1-4-12-28(13-5-1)30-20-22-32(23-21-30)42-44-41(31-16-8-3-9-17-31)45-43(46-42)37-27-39-40(35-19-11-10-18-34(35)37)36-25-24-33(26-38(36)47-39)29-14-6-2-7-15-29/h2*1-29H;1-27H
InChIKeyJXWVBQPREPXABC-UHFFFAOYSA-N
XLogP37.49
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001953.45
LogP ≤ 537.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-phenyl-4-(9-phenylnaphtho[2,1-b][1]benzothiol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 164707411
2-naphthalen-2-yl-4-(9-phenylnaphtho[2,1-b][1]benzothiol-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164707834
2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-[10-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[10-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 164986921
4,6-bis(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzothiophen-3-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 157307725
2-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 159324879
2-dibenzothiophen-1-yl-4-(7-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588371
2,4-dinaphthalen-1-yl-6-naphtho[2,1-b][1]benzothiol-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-naphtho[2,1-b][1]benzothiol-4-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-naphtho[2,1-b][1]benzothiol-3-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphtho[2,1-b][1]benzothiol-1-yl-6-phenyl-1,3,5-triazine
CID 159219658
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-dibenzothiophen-3-ylphenyl)-4-(5-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172509468
2-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-4-(4-phenanthren-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163604911
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(7-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 154934432
2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-1,3,5-triazine
CID 166042775

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-phenyl-4-(9-phenylnaphtho[2,1-b][1]benzothiol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-phenyl-4-(9-phenylnaphtho[2,1-b][1]benzothiol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 165012636) is 2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-phenyl-4-(9-phenylnaphtho[2,1-b][1]benzothiol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-phenyl-4-(9-phenylnaphtho[2,1-b][1]benzothiol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-phenyl-4-(9-phenylnaphtho[2,1-b][1]benzothiol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc4sc5cc(-c6nc(-c7ccccc7)nc(-c7cccc8ccccc78)n6)c6ccccc6c5c4c3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5sc6cc(-c7ccccc7)ccc6c5c5ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4sc5c(-c6ccc(-c7ccc8ccccc8c7)cc6)cccc5c4c4ccccc34)n2)cc1.
What is the InChIKey of 2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-phenyl-4-(9-phenylnaphtho[2,1-b][1]benzothiol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is JXWVBQPREPXABC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H29N3S.C43H27N3S/c1-3-13-33(14-4-1)45-48-46(34-15-5-2-6-16-34)50-47(49-45)41-29-42-43(39-19-10-9-18-38(39)41)40-21-11-20-37(44(40)51-42)32-25-22-31(23-26-32)36-27-24-30-12-7-8-17-35(30)28-36;1-3-12-30(13-4-1)31-22-24-32(25-23-31)35-26-27-42-41(28-35)44-38-20-10-9-19-37(38)40(29-43(44)51-42)47-49-45(34-15-5-2-6-16-34)48-46(50-47)39-21-11-17-33-14-7-8-18-36(33)39;1-4-12-28(13-5-1)30-20-22-32(23-21-30)42-44-41(31-16-8-3-9-17-31)45-43(46-42)37-27-39-40(35-19-11-10-18-34(35)37)36-25-24-33(26-38(36)47-39)29-14-6-2-7-15-29/h2*1-29H;1-27H.
What are the key properties of 2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-phenyl-4-(9-phenylnaphtho[2,1-b][1]benzothiol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-phenyl-4-(9-phenylnaphtho[2,1-b][1]benzothiol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 1953.45 g/mol, XLogP of 37.49, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-5-yl]-1,3,5-triazine;2-phenyl-4-(9-phenylnaphtho[2,1-b][1]benzothiol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 165012636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).