7-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline

C42H26N4OS — CID 166800326

IUPAC7-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline
SMILESC1=Cc2cc3oc4c(-c5cccc6c5sc5ccccc56)ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3cc2CN1
InChIInChI=1S/C42H26N4OS/c1-3-10-25(11-4-1)40-44-41(26-12-5-2-6-13-26)46-42(45-40)33-19-18-30(32-16-9-15-31-29-14-7-8-17-36(29)48-39(31)32)38-37(33)34-22-28-24-43-21-20-27(28)23-35(34)47-38/h1-23,43H,24H2
InChIKeyFVEPRDNHYZMTFN-UHFFFAOYSA-N
MW634.76 g/mol
LogP10.88
Rot. Bonds4

About 7-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline

7-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline (PubChem CID 166800326) has the molecular formula C42H26N4OS and a molecular weight of 634.76 g/mol. Its IUPAC name is 7-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline.

Molecular Properties

Compound Name7-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline
PubChem CID166800326
Molecular FormulaC42H26N4OS
Molecular Weight634.76 g/mol
Exact Mass634.18
IUPAC Name7-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline
SMILESC1=Cc2cc3oc4c(-c5cccc6c5sc5ccccc56)ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3cc2CN1
InChIInChI=1S/C42H26N4OS/c1-3-10-25(11-4-1)40-44-41(26-12-5-2-6-13-26)46-42(45-40)33-19-18-30(32-16-9-15-31-29-14-7-8-17-36(29)48-39(31)32)38-37(33)34-22-28-24-43-21-20-27(28)23-35(34)47-38/h1-23,43H,24H2
InChIKeyFVEPRDNHYZMTFN-UHFFFAOYSA-N
XLogP10.88
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.76
LogP ≤ 510.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline with MolForge

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Related Compounds

10-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline
CID 166799956
2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743560
2-[4-(4-dibenzothiophen-4-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166974662
9-dibenzothiophen-4-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]quinoline
CID 166502732
2-dibenzofuran-4-yl-4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 155077964
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 165062826
2-[4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078930
2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 147864491
2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 177130748
2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155077944
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166741703
2-dibenzofuran-4-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952530

Frequently Asked Questions

What is the IUPAC name of 7-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline?
The IUPAC name of 7-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline (CID 166800326) is 7-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline.
What is the SMILES notation for 7-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline?
The canonical SMILES for 7-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline is C1=Cc2cc3oc4c(-c5cccc6c5sc5ccccc56)ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3cc2CN1.
What is the InChIKey of 7-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline?
The InChIKey is FVEPRDNHYZMTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4OS/c1-3-10-25(11-4-1)40-44-41(26-12-5-2-6-13-26)46-42(45-40)33-19-18-30(32-16-9-15-31-29-14-7-8-17-36(29)48-39(31)32)38-37(33)34-22-28-24-43-21-20-27(28)23-35(34)47-38/h1-23,43H,24H2.
What are the key properties of 7-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline?
7-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline has a molecular weight of 634.76 g/mol, XLogP of 10.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzothiophen-4-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline is sourced from PubChem (CID 166800326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).