2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C111H65N9O2S3 — CID 167673267

IUPAC2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(ccc6c7ccccc7sc56)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5c6ccccc6sc45)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5c6ccccc6sc45)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/2C37H21N3OS.C37H23N3S/c1-2-9-22(10-3-1)35-38-36(40-37(39-35)29-13-8-15-31-33(29)28-12-4-6-14-30(28)41-31)24-18-19-25-23(21-24)17-20-27-26-11-5-7-16-32(26)42-34(25)27;1-2-8-22(9-3-1)35-38-36(40-37(39-35)25-16-18-28-27-10-4-6-12-31(27)41-32(28)21-25)24-15-17-26-23(20-24)14-19-30-29-11-5-7-13-33(29)42-34(26)30;1-3-10-24(11-4-1)26-14-9-15-28(22-26)36-38-35(25-12-5-2-6-13-25)39-37(40-36)29-19-20-30-27(23-29)18-21-32-31-16-7-8-17-33(31)41-34(30)32/h2*1-21H;1-23H
InChIKeyULCVGVPQMGBDNH-UHFFFAOYSA-N
MW1653.00 g/mol
LogP30.65
Rot. Bonds10

About 2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 167673267) has the molecular formula C111H65N9O2S3 and a molecular weight of 1653.00 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID167673267
Molecular FormulaC111H65N9O2S3
Molecular Weight1653.00 g/mol
Exact Mass1651.44
IUPAC Name2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(ccc6c7ccccc7sc56)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5c6ccccc6sc45)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5c6ccccc6sc45)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/2C37H21N3OS.C37H23N3S/c1-2-9-22(10-3-1)35-38-36(40-37(39-35)29-13-8-15-31-33(29)28-12-4-6-14-30(28)41-31)24-18-19-25-23(21-24)17-20-27-26-11-5-7-16-32(26)42-34(25)27;1-2-8-22(9-3-1)35-38-36(40-37(39-35)25-16-18-28-27-10-4-6-12-31(27)41-32(28)21-25)24-15-17-26-23(20-24)14-19-30-29-11-5-7-13-33(29)42-34(26)30;1-3-10-24(11-4-1)26-14-9-15-28(22-26)36-38-35(25-12-5-2-6-13-25)39-37(40-36)29-19-20-30-27(23-29)18-21-32-31-16-7-8-17-33(31)41-34(30)32/h2*1-21H;1-23H
InChIKeyULCVGVPQMGBDNH-UHFFFAOYSA-N
XLogP30.65
TPSA142.29 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001653.00
LogP ≤ 530.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-(7-naphtho[1,2-b][1]benzothiol-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741125
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163842372
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-naphtho[1,2-b][1]benzothiol-7-yl-1,3,5-triazine
CID 162696771
2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine
CID 162504545
2-dibenzofuran-3-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952304
2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176773453
2-dibenzofuran-3-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 154626584
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139404336
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 167673267) is 2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(ccc6c7ccccc7sc56)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5c6ccccc6sc45)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5c6ccccc6sc45)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is ULCVGVPQMGBDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H21N3OS.C37H23N3S/c1-2-9-22(10-3-1)35-38-36(40-37(39-35)29-13-8-15-31-33(29)28-12-4-6-14-30(28)41-31)24-18-19-25-23(21-24)17-20-27-26-11-5-7-16-32(26)42-34(25)27;1-2-8-22(9-3-1)35-38-36(40-37(39-35)25-16-18-28-27-10-4-6-12-31(27)41-32(28)21-25)24-15-17-26-23(20-24)14-19-30-29-11-5-7-13-33(29)42-34(26)30;1-3-10-24(11-4-1)26-14-9-15-28(22-26)36-38-35(25-12-5-2-6-13-25)39-37(40-36)29-19-20-30-27(23-29)18-21-32-31-16-7-8-17-33(31)41-34(30)32/h2*1-21H;1-23H.
What are the key properties of 2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 1653.00 g/mol, XLogP of 30.65, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167673267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).