2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine

C47H27N3OS — CID 163612201

IUPAC2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine
SMILESc1ccc2c(c1)cc(-c1ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cccc5sc6ccccc6c45)n3)cc1)c1ccccc12
InChIInChI=1S/C47H27N3OS/c1-2-11-32-30(10-1)26-38(34-13-4-3-12-33(32)34)28-20-22-29(23-21-28)45-48-46(31-24-25-41-39(27-31)35-14-5-7-17-40(35)51-41)50-47(49-45)37-16-9-19-43-44(37)36-15-6-8-18-42(36)52-43/h1-27H
InChIKeyHGWYNDRSNVESHP-UHFFFAOYSA-N
MW681.82 g/mol
LogP13.11
Rot. Bonds4

About 2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine

2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine (PubChem CID 163612201) has the molecular formula C47H27N3OS and a molecular weight of 681.82 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine
PubChem CID163612201
Molecular FormulaC47H27N3OS
Molecular Weight681.82 g/mol
Exact Mass681.19
IUPAC Name2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine
SMILESc1ccc2c(c1)cc(-c1ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cccc5sc6ccccc6c45)n3)cc1)c1ccccc12
InChIInChI=1S/C47H27N3OS/c1-2-11-32-30(10-1)26-38(34-13-4-3-12-33(32)34)28-20-22-29(23-21-28)45-48-46(31-24-25-41-39(27-31)35-14-5-7-17-40(35)51-41)50-47(49-45)37-16-9-19-43-44(37)36-15-6-8-18-42(36)52-43/h1-27H
InChIKeyHGWYNDRSNVESHP-UHFFFAOYSA-N
XLogP13.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.82
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-dibenzothiophen-1-yl-4-[4-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198930
2-dibenzothiophen-2-yl-4-[4-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198924
2-dibenzothiophen-1-yl-4-phenyl-6-[3-[8-(2-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198900
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134198849
2-dibenzofuran-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazine
CID 155050287
2-dibenzofuran-2-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155079039
2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 155471007
2-dibenzofuran-4-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050381
2-dibenzofuran-2-yl-4-(7-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741837
2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170363880
2-dibenzothiophen-1-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198711

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine (CID 163612201) is 2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine is c1ccc2c(c1)cc(-c1ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cccc5sc6ccccc6c45)n3)cc1)c1ccccc12.
What is the InChIKey of 2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine?
The InChIKey is HGWYNDRSNVESHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3OS/c1-2-11-32-30(10-1)26-38(34-13-4-3-12-33(32)34)28-20-22-29(23-21-28)45-48-46(31-24-25-41-39(27-31)35-14-5-7-17-40(35)51-41)50-47(49-45)37-16-9-19-43-44(37)36-15-6-8-18-42(36)52-43/h1-27H.
What are the key properties of 2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine?
2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine has a molecular weight of 681.82 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 163612201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).