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

C42H26N4O2 — CID 166799956

IUPAC10-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline
SMILESC1=Cc2cc3oc4c(-c5ccccc5)ccc(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c4c3cc2CN1
InChIInChI=1S/C42H26N4O2/c1-3-10-25(11-4-1)29-18-19-32(38-33-22-28-24-43-21-20-27(28)23-36(33)48-39(29)38)42-45-40(26-12-5-2-6-13-26)44-41(46-42)31-15-9-17-35-37(31)30-14-7-8-16-34(30)47-35/h1-23,43H,24H2
InChIKeySIYXNIXDXPLHRM-UHFFFAOYSA-N
MW618.70 g/mol
LogP10.41
Rot. Bonds4

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

10-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline (PubChem CID 166799956) has the molecular formula C42H26N4O2 and a molecular weight of 618.70 g/mol. Its IUPAC name is 10-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline.

Molecular Properties

Compound Name10-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline
PubChem CID166799956
Molecular FormulaC42H26N4O2
Molecular Weight618.70 g/mol
Exact Mass618.21
IUPAC Name10-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline
SMILESC1=Cc2cc3oc4c(-c5ccccc5)ccc(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c4c3cc2CN1
InChIInChI=1S/C42H26N4O2/c1-3-10-25(11-4-1)29-18-19-32(38-33-22-28-24-43-21-20-27(28)23-36(33)48-39(29)38)42-45-40(26-12-5-2-6-13-26)44-41(46-42)31-15-9-17-35-37(31)30-14-7-8-16-34(30)47-35/h1-23,43H,24H2
InChIKeySIYXNIXDXPLHRM-UHFFFAOYSA-N
XLogP10.41
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 510.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

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
2-phenyl-4-(4-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155477197
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155603269
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 155077731
6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
CID 166502770
2,4-diphenyl-6-[3-(4-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 130289437
2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142491264
9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine
CID 163982772
2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742723
2,4-diphenyl-6-[6-(4-phenyldibenzofuran-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378330
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078432
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996

Frequently Asked Questions

What is the IUPAC name of 10-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline?
The IUPAC name of 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) is 10-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline.
What is the SMILES notation for 10-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline?
The canonical SMILES for 10-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline is C1=Cc2cc3oc4c(-c5ccccc5)ccc(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c4c3cc2CN1.
What is the InChIKey of 10-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline?
The InChIKey is SIYXNIXDXPLHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O2/c1-3-10-25(11-4-1)29-18-19-32(38-33-22-28-24-43-21-20-27(28)23-36(33)48-39(29)38)42-45-40(26-12-5-2-6-13-26)44-41(46-42)31-15-9-17-35-37(31)30-14-7-8-16-34(30)47-35/h1-23,43H,24H2.
What are the key properties of 10-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline?
10-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline has a molecular weight of 618.70 g/mol, XLogP of 10.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline is sourced from PubChem (CID 166799956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).