1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine

C41H25N5O — CID 168746500

IUPAC1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc(-c6nccc7oc8ccccc8c67)nc5c4)c3)n2)cc1
InChIInChI=1S/C41H25N5O/c1-3-10-27(11-4-1)39-44-40(28-12-5-2-6-13-28)46-41(45-39)31-15-9-14-29(24-31)30-19-18-26-20-21-33(43-34(26)25-30)38-37-32-16-7-8-17-35(32)47-36(37)22-23-42-38/h1-25H
InChIKeyPNTYVAJCEDCRPU-UHFFFAOYSA-N
MW603.69 g/mol
LogP10.05
Rot. Bonds5

About 1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine

1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 168746500) has the molecular formula C41H25N5O and a molecular weight of 603.69 g/mol. Its IUPAC name is 1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine
PubChem CID168746500
Molecular FormulaC41H25N5O
Molecular Weight603.69 g/mol
Exact Mass603.21
IUPAC Name1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc(-c6nccc7oc8ccccc8c67)nc5c4)c3)n2)cc1
InChIInChI=1S/C41H25N5O/c1-3-10-27(11-4-1)39-44-40(28-12-5-2-6-13-28)46-41(45-39)31-15-9-14-29(24-31)30-19-18-26-20-21-33(43-34(26)25-30)38-37-32-16-7-8-17-35(32)47-36(37)22-23-42-38/h1-25H
InChIKeyPNTYVAJCEDCRPU-UHFFFAOYSA-N
XLogP10.05
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.69
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

1-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinolin-3-yl]-[1]benzofuro[3,2-c]pyridine
CID 168746067
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-quinolin-2-yl-[1]benzofuro[3,2-c]pyridine
CID 168746654
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016833
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
6-phenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 157091257
2-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 176877809
2-[3-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134430151
2-[10-(3-dibenzofuran-1-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925668
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830

Frequently Asked Questions

What is the IUPAC name of 1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine (CID 168746500) is 1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc(-c6nccc7oc8ccccc8c67)nc5c4)c3)n2)cc1.
What is the InChIKey of 1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine?
The InChIKey is PNTYVAJCEDCRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5O/c1-3-10-27(11-4-1)39-44-40(28-12-5-2-6-13-28)46-41(45-39)31-15-9-14-29(24-31)30-19-18-26-20-21-33(43-34(26)25-30)38-37-32-16-7-8-17-35(32)47-36(37)22-23-42-38/h1-25H.
What are the key properties of 1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine?
1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 603.69 g/mol, XLogP of 10.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 168746500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).