2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine

C129H77N9O2S3 — CID 157489549

IUPAC2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5cc6c(cc5c4)sc4ccccc46)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5cc6c(cc45)sc4ccccc46)c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6cc7oc8ccccc8c7cc56)c4)c3)n2)cc1
InChIInChI=1S/C43H25N3OS.C43H27N3O.C43H25N3S2/c1-2-9-26(10-3-1)41-44-42(46-43(45-41)31-19-20-38-35(24-31)33-13-4-6-15-37(33)47-38)30-12-8-11-27(21-30)28-17-18-29-23-36-34-14-5-7-16-39(34)48-40(36)25-32(29)22-28;1-3-12-28(13-4-1)41-44-42(29-14-5-2-6-15-29)46-43(45-41)34-20-10-17-31(25-34)30-16-9-18-32(24-30)35-22-11-19-33-26-40-38(27-37(33)35)36-21-7-8-23-39(36)47-40;1-2-10-26(11-3-1)41-44-42(46-43(45-41)30-20-21-34-32-15-4-6-18-37(32)47-39(34)24-30)29-14-8-12-27(22-29)31-17-9-13-28-23-36-33-16-5-7-19-38(33)48-40(36)25-35(28)31/h1-25H;1-27H;1-25H
InChIKeyBXCMYUAZAFVSIA-UHFFFAOYSA-N
MW1881.30 g/mol
LogP35.65
Rot. Bonds13

About 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 157489549) has the molecular formula C129H77N9O2S3 and a molecular weight of 1881.30 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID157489549
Molecular FormulaC129H77N9O2S3
Molecular Weight1881.30 g/mol
Exact Mass1879.54
IUPAC Name2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5cc6c(cc5c4)sc4ccccc46)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5cc6c(cc45)sc4ccccc46)c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6cc7oc8ccccc8c7cc56)c4)c3)n2)cc1
InChIInChI=1S/C43H25N3OS.C43H27N3O.C43H25N3S2/c1-2-9-26(10-3-1)41-44-42(46-43(45-41)31-19-20-38-35(24-31)33-13-4-6-15-37(33)47-38)30-12-8-11-27(21-30)28-17-18-29-23-36-34-14-5-7-16-39(34)48-40(36)25-32(29)22-28;1-3-12-28(13-4-1)41-44-42(29-14-5-2-6-15-29)46-43(45-41)34-20-10-17-31(25-34)30-16-9-18-32(24-30)35-22-11-19-33-26-40-38(27-37(33)35)36-21-7-8-23-39(36)47-40;1-2-10-26(11-3-1)41-44-42(46-43(45-41)30-20-21-34-32-15-4-6-18-37(32)47-39(34)24-30)29-14-8-12-27(22-29)31-17-9-13-28-23-36-33-16-5-7-19-38(33)48-40(36)25-35(28)31/h1-25H;1-27H;1-25H
InChIKeyBXCMYUAZAFVSIA-UHFFFAOYSA-N
XLogP35.65
TPSA142.29 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001881.30
LogP ≤ 535.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(3-dibenzothiophen-3-ylphenyl)-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168730357
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-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(3-naphtho[2,3-b][1]benzothiol-9-ylphenyl)-6-phenyl-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 165081858
2,4-diphenyl-6-[3-(17-thiahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaen-6-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(23-thiahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaen-6-yl)phenyl]-1,3,5-triazine;2-[3-(23-oxahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaen-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165055341
2-dibenzothiophen-3-yl-4-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 168845077
2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-6-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(3,5-diphenylphenyl)-6-naphtho[2,3-b][1]benzofuran-9-yl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163969466
2-[8-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597450
2-(8-dibenzofuran-2-yldibenzothiophen-3-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139549099
2-dibenzofuran-2-yl-4-(3-naphthalen-1-yl-5-phenylphenyl)-6-(7-naphtho[3,2-b][1]benzofuran-11-ylnaphthalen-2-yl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-naphtho[7,6-b][1]benzofuran-7-ylnaphthalen-2-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-naphthalen-1-yl-4-(7-naphtho[2,3-b][1]benzofuran-9-ylnaphthalen-2-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163996740
2-dibenzothiophen-3-yl-4-[7-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741993
2-dibenzofuran-3-yl-4-[8-(2-dibenzothiophen-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 170192686
2-[8-(2-dibenzofuran-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192055

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 157489549) is 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccc5cc6c(cc5c4)sc4ccccc46)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5cc6c(cc45)sc4ccccc46)c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6cc7oc8ccccc8c7cc56)c4)c3)n2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is BXCMYUAZAFVSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3OS.C43H27N3O.C43H25N3S2/c1-2-9-26(10-3-1)41-44-42(46-43(45-41)31-19-20-38-35(24-31)33-13-4-6-15-37(33)47-38)30-12-8-11-27(21-30)28-17-18-29-23-36-34-14-5-7-16-39(34)48-40(36)25-32(29)22-28;1-3-12-28(13-4-1)41-44-42(29-14-5-2-6-15-29)46-43(45-41)34-20-10-17-31(25-34)30-16-9-18-32(24-30)35-22-11-19-33-26-40-38(27-37(33)35)36-21-7-8-23-39(36)47-40;1-2-10-26(11-3-1)41-44-42(46-43(45-41)30-20-21-34-32-15-4-6-18-37(32)47-39(34)24-30)29-14-8-12-27(22-29)31-17-9-13-28-23-36-33-16-5-7-19-38(33)48-40(36)25-35(28)31/h1-25H;1-27H;1-25H.
What are the key properties of 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1881.30 g/mol, XLogP of 35.65, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 157489549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).