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

C42H26N4O — CID 164816907

IUPAC6-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6oc7ccccc7c56)cc4)cn3)c2)cc1
InChIInChI=1S/C42H26N4O/c1-2-10-27(11-3-1)31-24-37(35-15-8-9-23-43-35)45-38(25-31)36-22-21-30(26-44-36)28-17-19-29(20-18-28)41-40-33-13-5-7-16-39(33)47-42(40)32-12-4-6-14-34(32)46-41/h1-26H
InChIKeyGDOSJNKPPPZSRN-UHFFFAOYSA-N
MW602.70 g/mol
LogP10.65
Rot. Bonds5

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

6-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline (PubChem CID 164816907) has the molecular formula C42H26N4O and a molecular weight of 602.70 g/mol. Its IUPAC name is 6-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name6-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline
PubChem CID164816907
Molecular FormulaC42H26N4O
Molecular Weight602.70 g/mol
Exact Mass602.21
IUPAC Name6-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6oc7ccccc7c56)cc4)cn3)c2)cc1
InChIInChI=1S/C42H26N4O/c1-2-10-27(11-3-1)31-24-37(35-15-8-9-23-43-35)45-38(25-31)36-22-21-30(26-44-36)28-17-19-29(20-18-28)41-40-33-13-5-7-16-39(33)47-42(40)32-12-4-6-14-34(32)46-41/h1-26H
InChIKeyGDOSJNKPPPZSRN-UHFFFAOYSA-N
XLogP10.65
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.70
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline with MolForge

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Related Compounds

6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline
CID 162256176
1-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
CID 149128758
14-phenyl-11-(3-pyridin-2-ylisoquinolin-7-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(2-pyridin-2-yl-4-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-2-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(6-pyridin-2-yl-3-pyridinyl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 158005831
2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine
CID 156509413
2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine
CID 126730919
6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129085825
2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 159296386
14-[3-[4-[2-(3-phenylphenyl)-6-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123598
6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline
CID 146497836
2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 165075170
2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylfuro[3,2-c]quinoline
CID 164716314
6-(4-diphenylphosphorylphenyl)-[1]benzofuro[3,2-c]quinoline
CID 129086220

Frequently Asked Questions

What is the IUPAC name of 6-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 6-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline (CID 164816907) is 6-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 6-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 6-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6oc7ccccc7c56)cc4)cn3)c2)cc1.
What is the InChIKey of 6-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The InChIKey is GDOSJNKPPPZSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O/c1-2-10-27(11-3-1)31-24-37(35-15-8-9-23-43-35)45-38(25-31)36-22-21-30(26-44-36)28-17-19-29(20-18-28)41-40-33-13-5-7-16-39(33)47-42(40)32-12-4-6-14-34(32)46-41/h1-26H.
What are the key properties of 6-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
6-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline has a molecular weight of 602.70 g/mol, XLogP of 10.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 164816907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).