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

C42H30N4O — CID 166800247

IUPAC10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccccc3-c3ccc(-c4ccccc4)c4oc5cc6ccncc6cc5c34)N2)cc1
InChIInChI=1S/C42H30N4O/c1-4-12-27(13-5-1)32-20-21-34(38-36-24-31-26-43-23-22-30(31)25-37(36)47-39(32)38)33-18-10-11-19-35(33)42-45-40(28-14-6-2-7-15-28)44-41(46-42)29-16-8-3-9-17-29/h1-26,40,42,45H,(H,44,46)
InChIKeyCBUSBLZTWFDIQR-UHFFFAOYSA-N
MW606.73 g/mol
LogP9.81
Rot. Bonds5

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

10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline (PubChem CID 166800247) has the molecular formula C42H30N4O and a molecular weight of 606.73 g/mol. Its IUPAC name is 10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline.

Molecular Properties

Compound Name10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline
PubChem CID166800247
Molecular FormulaC42H30N4O
Molecular Weight606.73 g/mol
Exact Mass606.24
IUPAC Name10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccccc3-c3ccc(-c4ccccc4)c4oc5cc6ccncc6cc5c34)N2)cc1
InChIInChI=1S/C42H30N4O/c1-4-12-27(13-5-1)32-20-21-34(38-36-24-31-26-43-23-22-30(31)25-37(36)47-39(32)38)33-18-10-11-19-35(33)42-45-40(28-14-6-2-7-15-28)44-41(46-42)29-16-8-3-9-17-29/h1-26,40,42,45H,(H,44,46)
InChIKeyCBUSBLZTWFDIQR-UHFFFAOYSA-N
XLogP9.81
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.73
LogP ≤ 59.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline
CID 166800197
2-[4-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 156553978
6-phenanthren-3-yl-4-phenyl-2-[2-(4-phenyldibenzofuran-1-yl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029700
10-[2-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-1-yl]-[1]benzofuro[2,3-g]isoquinoline
CID 166800145
10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]quinoline
CID 166800231
2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163865537
9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 159438429
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
2-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-3-(4-fluorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174267887
2-(6,8-dipyridin-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 142343014
7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline
CID 166502685
2-[2-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099184

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline?
The IUPAC name of 10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline (CID 166800247) is 10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline.
What is the SMILES notation for 10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline?
The canonical SMILES for 10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline is c1ccc(C2=NC(c3ccccc3)NC(c3ccccc3-c3ccc(-c4ccccc4)c4oc5cc6ccncc6cc5c34)N2)cc1.
What is the InChIKey of 10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline?
The InChIKey is CBUSBLZTWFDIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4O/c1-4-12-27(13-5-1)32-20-21-34(38-36-24-31-26-43-23-22-30(31)25-37(36)47-39(32)38)33-18-10-11-19-35(33)42-45-40(28-14-6-2-7-15-28)44-41(46-42)29-16-8-3-9-17-29/h1-26,40,42,45H,(H,44,46).
What are the key properties of 10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline?
10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline has a molecular weight of 606.73 g/mol, XLogP of 9.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline is sourced from PubChem (CID 166800247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).