6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline

C52H31N3O2 — CID 129087671

IUPAC6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4nc5ccccc5c5oc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C52H31N3O2/c1-2-12-33(13-3-1)52-54-44-18-8-9-19-45(44)55(52)38-25-22-32(23-26-38)35-28-36(34-24-27-48-42(31-34)39-14-5-10-20-46(39)56-48)30-37(29-35)50-49-41-16-6-11-21-47(41)57-51(49)40-15-4-7-17-43(40)53-50/h1-31H
InChIKeyIZCDKLALHINRCJ-UHFFFAOYSA-N
MW729.84 g/mol
LogP14.04
Rot. Bonds5

About 6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline

6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline (PubChem CID 129087671) has the molecular formula C52H31N3O2 and a molecular weight of 729.84 g/mol. Its IUPAC name is 6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
PubChem CID129087671
Molecular FormulaC52H31N3O2
Molecular Weight729.84 g/mol
Exact Mass729.24
IUPAC Name6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4nc5ccccc5c5oc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C52H31N3O2/c1-2-12-33(13-3-1)52-54-44-18-8-9-19-45(44)55(52)38-25-22-32(23-26-38)35-28-36(34-24-27-48-42(31-34)39-14-5-10-20-46(39)56-48)30-37(29-35)50-49-41-16-6-11-21-47(41)57-51(49)40-15-4-7-17-43(40)53-50/h1-31H
InChIKeyIZCDKLALHINRCJ-UHFFFAOYSA-N
XLogP14.04
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline (CID 129087671) is 6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4nc5ccccc5c5oc6ccccc6c45)c3)cc2)cc1.
What is the InChIKey of 6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The InChIKey is IZCDKLALHINRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3O2/c1-2-12-33(13-3-1)52-54-44-18-8-9-19-45(44)55(52)38-25-22-32(23-26-38)35-28-36(34-24-27-48-42(31-34)39-14-5-10-20-46(39)56-48)30-37(29-35)50-49-41-16-6-11-21-47(41)57-51(49)40-15-4-7-17-43(40)53-50/h1-31H.
What are the key properties of 6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline has a molecular weight of 729.84 g/mol, XLogP of 14.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-dibenzofuran-2-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 129087671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).