7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine

C38H24N4O — CID 166802118

IUPAC7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ncccc56)n4)cc3)cc2)cc1
InChIInChI=1S/C38H24N4O/c1-3-8-25(9-4-1)26-13-15-27(16-14-26)28-17-19-30(20-18-28)36-40-35(29-10-5-2-6-11-29)41-37(42-36)31-21-22-32-33-12-7-23-39-38(33)43-34(32)24-31/h1-24H
InChIKeyIBCNZAHARXGLND-UHFFFAOYSA-N
MW552.64 g/mol
LogP9.50
Rot. Bonds5

About 7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine

7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 166802118) has the molecular formula C38H24N4O and a molecular weight of 552.64 g/mol. Its IUPAC name is 7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID166802118
Molecular FormulaC38H24N4O
Molecular Weight552.64 g/mol
Exact Mass552.20
IUPAC Name7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ncccc56)n4)cc3)cc2)cc1
InChIInChI=1S/C38H24N4O/c1-3-8-25(9-4-1)26-13-15-27(16-14-26)28-17-19-30(20-18-28)36-40-35(29-10-5-2-6-11-29)41-37(42-36)31-21-22-32-33-12-7-23-39-38(33)43-34(32)24-31/h1-24H
InChIKeyIBCNZAHARXGLND-UHFFFAOYSA-N
XLogP9.50
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 166802118) is 7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ncccc56)n4)cc3)cc2)cc1.
What is the InChIKey of 7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is IBCNZAHARXGLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O/c1-3-8-25(9-4-1)26-13-15-27(16-14-26)28-17-19-30(20-18-28)36-40-35(29-10-5-2-6-11-29)41-37(42-36)31-21-22-32-33-12-7-23-39-38(33)43-34(32)24-31/h1-24H.
What are the key properties of 7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine?
7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 552.64 g/mol, XLogP of 9.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 166802118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).