2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzothiol-4-yl)-1,3,5-triazine

C145H85N9OS3 — CID 157364144

IUPAC2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzothiol-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5c6cccc(-c7ccc8ccccc8c7)c6sc45)c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4ccc5c6cccc(-c7cccc8oc9ccccc9c78)c6sc5c4c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3cccc4c3cc(-c3ccccc3)c3c5ccccc5sc43)n2)cc1
InChIInChI=1S/C51H29N3OS.C49H29N3S.C45H27N3S/c1-2-12-31(13-3-1)49-52-50(54-51(53-49)43-28-32-14-4-5-15-34(32)35-16-6-7-17-36(35)43)33-25-24-30-26-27-40-39-21-10-20-38(47(39)56-48(40)42(30)29-33)37-19-11-23-45-46(37)41-18-8-9-22-44(41)55-45;1-2-12-31(13-3-1)47-50-48(52-49(51-47)44-29-33-15-6-7-16-37(33)40-17-8-9-18-41(40)44)36-24-25-39-35(28-36)23-26-43-42-20-10-19-38(45(42)53-46(39)43)34-22-21-30-11-4-5-14-32(30)27-34;1-3-12-28(13-4-1)38-27-39-34(42-41(38)36-18-9-10-21-40(36)49-42)19-11-20-35(39)45-47-43(31-15-5-2-6-16-31)46-44(48-45)32-25-24-30-23-22-29-14-7-8-17-33(29)37(30)26-32/h1-29H;1-29H;1-27H
InChIKeyBIZHATJDZYGLRI-UHFFFAOYSA-N
MW2065.54 g/mol
LogP40.15
Rot. Bonds12

About 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzothiol-4-yl)-1,3,5-triazine

2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzothiol-4-yl)-1,3,5-triazine (PubChem CID 157364144) has the molecular formula C145H85N9OS3 and a molecular weight of 2065.54 g/mol. Its IUPAC name is 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzothiol-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzothiol-4-yl)-1,3,5-triazine
PubChem CID157364144
Molecular FormulaC145H85N9OS3
Molecular Weight2065.54 g/mol
Exact Mass2063.60
IUPAC Name2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzothiol-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5c6cccc(-c7ccc8ccccc8c7)c6sc45)c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4ccc5c6cccc(-c7cccc8oc9ccccc9c78)c6sc5c4c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3cccc4c3cc(-c3ccccc3)c3c5ccccc5sc43)n2)cc1
InChIInChI=1S/C51H29N3OS.C49H29N3S.C45H27N3S/c1-2-12-31(13-3-1)49-52-50(54-51(53-49)43-28-32-14-4-5-15-34(32)35-16-6-7-17-36(35)43)33-25-24-30-26-27-40-39-21-10-20-38(47(39)56-48(40)42(30)29-33)37-19-11-23-45-46(37)41-18-8-9-22-44(41)55-45;1-2-12-31(13-3-1)47-50-48(52-49(51-47)44-29-33-15-6-7-16-37(33)40-17-8-9-18-41(40)44)36-24-25-39-35(28-36)23-26-43-42-20-10-19-38(45(42)53-46(39)43)34-22-21-30-11-4-5-14-32(30)27-34;1-3-12-28(13-4-1)38-27-39-34(42-41(38)36-18-9-10-21-40(36)49-42)19-11-20-35(39)45-47-43(31-15-5-2-6-16-31)46-44(48-45)32-25-24-30-23-22-29-14-7-8-17-33(29)37(30)26-32/h1-29H;1-29H;1-27H
InChIKeyBIZHATJDZYGLRI-UHFFFAOYSA-N
XLogP40.15
TPSA129.15 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002065.54
LogP ≤ 540.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzothiol-4-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(8-phenylnaphtho[1,2-b][1]benzofuran-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-4-yl)-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 165023944
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-phenylphenanthren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-1-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-phenanthren-9-yl-1,3,5-triazine
CID 165083510
2-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166742638
2-chrysen-3-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-chrysen-3-yl-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chrysen-3-yl-4-dibenzothiophen-2-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 165017043
2-(4-dibenzothiophen-4-ylphenyl)-4-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 139549050
2-dibenzofuran-1-yl-4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(2-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-(2-dibenzothiophen-4-ylphenyl)-4-naphthalen-2-yl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-(2-dibenzothiophen-4-ylphenyl)-4-(9-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(2-naphtho[2,3-b][1]benzothiol-4-ylphenyl)-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)-4-(8-phenanthren-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 158284946
2-(8-chrysen-6-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 134198571
2-(4-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166743049
2-(6-naphthalen-2-yldibenzofuran-1-yl)-4-(2-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazine;2-(6-naphthalen-1-yldibenzofuran-1-yl)-4-naphtho[1,2-b][1]benzothiol-9-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-5-yl-4-phenyl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(2-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 163759628
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(5-naphtho[1,2-b][1]benzofuran-5-ylnaphthalen-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-(7-naphtho[1,2-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(7-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 163736359
2-dibenzofuran-1-yl-4-phenyl-6-(5-phenyl-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-14-yl)-1,3,5-triazine
CID 170268719
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259797

Frequently Asked Questions

What is the IUPAC name of 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzothiol-4-yl)-1,3,5-triazine?
The IUPAC name of 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzothiol-4-yl)-1,3,5-triazine (CID 157364144) is 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzothiol-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzothiol-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzothiol-4-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(ccc5c6cccc(-c7ccc8ccccc8c7)c6sc45)c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4ccc5c6cccc(-c7cccc8oc9ccccc9c78)c6sc5c4c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3cccc4c3cc(-c3ccccc3)c3c5ccccc5sc43)n2)cc1.
What is the InChIKey of 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzothiol-4-yl)-1,3,5-triazine?
The InChIKey is BIZHATJDZYGLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3OS.C49H29N3S.C45H27N3S/c1-2-12-31(13-3-1)49-52-50(54-51(53-49)43-28-32-14-4-5-15-34(32)35-16-6-7-17-36(35)43)33-25-24-30-26-27-40-39-21-10-20-38(47(39)56-48(40)42(30)29-33)37-19-11-23-45-46(37)41-18-8-9-22-44(41)55-45;1-2-12-31(13-3-1)47-50-48(52-49(51-47)44-29-33-15-6-7-16-37(33)40-17-8-9-18-41(40)44)36-24-25-39-35(28-36)23-26-43-42-20-10-19-38(45(42)53-46(39)43)34-22-21-30-11-4-5-14-32(30)27-34;1-3-12-28(13-4-1)38-27-39-34(42-41(38)36-18-9-10-21-40(36)49-42)19-11-20-35(39)45-47-43(31-15-5-2-6-16-31)46-44(48-45)32-25-24-30-23-22-29-14-7-8-17-33(29)37(30)26-32/h1-29H;1-29H;1-27H.
What are the key properties of 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzothiol-4-yl)-1,3,5-triazine?
2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzothiol-4-yl)-1,3,5-triazine has a molecular weight of 2065.54 g/mol, XLogP of 40.15, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-phenanthren-3-yl-4-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzothiol-4-yl)-1,3,5-triazine is sourced from PubChem (CID 157364144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).