2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine

C51H29N3O2S — CID 170202632

IUPAC2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc4c3sc3cc(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)ccc34)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C51H29N3O2S/c1-3-13-30(14-4-1)33-27-40-34-17-7-9-22-42(34)56-47(40)41(28-33)37-20-11-19-36-35-26-25-32(29-45(35)57-48(36)37)50-52-49(31-15-5-2-6-16-31)53-51(54-50)39-21-12-24-44-46(39)38-18-8-10-23-43(38)55-44/h1-29H
InChIKeyUUKPZVWZHAVPLD-UHFFFAOYSA-N
MW747.88 g/mol
LogP14.37
Rot. Bonds5

About 2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine

2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine (PubChem CID 170202632) has the molecular formula C51H29N3O2S and a molecular weight of 747.88 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
PubChem CID170202632
Molecular FormulaC51H29N3O2S
Molecular Weight747.88 g/mol
Exact Mass747.20
IUPAC Name2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc4c3sc3cc(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)ccc34)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C51H29N3O2S/c1-3-13-30(14-4-1)33-27-40-34-17-7-9-22-42(34)56-47(40)41(28-33)37-20-11-19-36-35-26-25-32(29-45(35)57-48(36)37)50-52-49(31-15-5-2-6-16-31)53-51(54-50)39-21-12-24-44-46(39)38-18-8-10-23-43(38)55-44/h1-29H
InChIKeyUUKPZVWZHAVPLD-UHFFFAOYSA-N
XLogP14.37
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.88
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170201278
2-(6-dibenzofuran-1-yldibenzothiophen-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377443
2-phenyl-4-(6-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 155096599
2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 158804411
2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743560
2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199155
2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 170141313
2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 159808130
2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096844
2-dibenzofuran-1-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 159607952
2-dibenzofuran-1-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 171597375
2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 153355157

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine (CID 170202632) is 2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine is c1ccc(-c2cc(-c3cccc4c3sc3cc(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)ccc34)c3oc4ccccc4c3c2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine?
The InChIKey is UUKPZVWZHAVPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O2S/c1-3-13-30(14-4-1)33-27-40-34-17-7-9-22-42(34)56-47(40)41(28-33)37-20-11-19-36-35-26-25-32(29-45(35)57-48(36)37)50-52-49(31-15-5-2-6-16-31)53-51(54-50)39-21-12-24-44-46(39)38-18-8-10-23-43(38)55-44/h1-29H.
What are the key properties of 2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine?
2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine has a molecular weight of 747.88 g/mol, XLogP of 14.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine is sourced from PubChem (CID 170202632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).