1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline

C48H30N4O — CID 149128758

IUPAC1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline

SMILESc1ccc(-c2nc3cccc(-c4cccc(-c5cccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c5)c4)c3c3c2oc2ccccc23)cc1

InChIInChI=1S/C48H30N4O/c1-2-13-31(14-3-1)47-48-46(38-19-4-5-24-44(38)53-48)45-37(20-12-23-41(45)52-47)35-18-11-16-33(28-35)32-15-10-17-34(27-32)36-29-42(39-21-6-8-25-49-39)51-43(30-36)40-22-7-9-26-50-40/h1-30H

InChIKeyRBTZFNCTQHWPEU-UHFFFAOYSA-N

MW678.80 g/mol

LogP12.32

Rot. Bonds6

About 1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline

1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline (PubChem CID 149128758) has the molecular formula C48H30N4O and a molecular weight of 678.80 g/mol. Its IUPAC name is 1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name	1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
PubChem CID	149128758
Molecular Formula	C48H30N4O
Molecular Weight	678.80 g/mol
Exact Mass	678.24
IUPAC Name	1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
SMILES	c1ccc(-c2nc3cccc(-c4cccc(-c5cccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c5)c4)c3c3c2oc2ccccc23)cc1
InChI	InChI=1S/C48H30N4O/c1-2-13-31(14-3-1)47-48-46(38-19-4-5-24-44(38)53-48)45-37(20-12-23-41(45)52-47)35-18-11-16-33(28-35)32-15-10-17-34(27-32)36-29-42(39-21-6-8-25-49-39)51-43(30-36)40-22-7-9-26-50-40/h1-30H
InChIKey	RBTZFNCTQHWPEU-UHFFFAOYSA-N
XLogP	12.32
TPSA	64.70 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	53
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.80
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline?

The IUPAC name of 1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline (CID 149128758) is 1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline.

What is the SMILES notation for 1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline?

The canonical SMILES for 1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline is c1ccc(-c2nc3cccc(-c4cccc(-c5cccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c5)c4)c3c3c2oc2ccccc23)cc1.

What is the InChIKey of 1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline?

The InChIKey is RBTZFNCTQHWPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4O/c1-2-13-31(14-3-1)47-48-46(38-19-4-5-24-44(38)53-48)45-37(20-12-23-41(45)52-47)35-18-11-16-33(28-35)32-15-10-17-34(27-32)36-29-42(39-21-6-8-25-49-39)51-43(30-36)40-22-7-9-26-50-40/h1-30H.

What are the key properties of 1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline?

1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline has a molecular weight of 678.80 g/mol, XLogP of 12.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 149128758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).