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

C59H37N5O — CID 129087732

IUPAC6-[3,5-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)cc(-c4nc5ccccc5c5c4oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C59H37N5O/c1-3-15-40(16-4-1)58-61-50-22-10-12-24-52(50)63(58)45-31-27-38(28-32-45)42-35-43(37-44(36-42)56-57-55(47-19-7-9-21-49(47)60-56)48-20-8-14-26-54(48)65-57)39-29-33-46(34-30-39)64-53-25-13-11-23-51(53)62-59(64)41-17-5-2-6-18-41/h1-37H
InChIKeyBCIYIPYMWBVRQQ-UHFFFAOYSA-N
MW831.98 g/mol
LogP15.15
Rot. Bonds7

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

6-[3,5-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline (PubChem CID 129087732) has the molecular formula C59H37N5O and a molecular weight of 831.98 g/mol. Its IUPAC name is 6-[3,5-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name6-[3,5-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
PubChem CID129087732
Molecular FormulaC59H37N5O
Molecular Weight831.98 g/mol
Exact Mass831.30
IUPAC Name6-[3,5-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)cc(-c4nc5ccccc5c5c4oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C59H37N5O/c1-3-15-40(16-4-1)58-61-50-22-10-12-24-52(50)63(58)45-31-27-38(28-32-45)42-35-43(37-44(36-42)56-57-55(47-19-7-9-21-49(47)60-56)48-20-8-14-26-54(48)65-57)39-29-33-46(34-30-39)64-53-25-13-11-23-51(53)62-59(64)41-17-5-2-6-18-41/h1-37H
InChIKeyBCIYIPYMWBVRQQ-UHFFFAOYSA-N
XLogP15.15
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.98
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3,5-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 6-[3,5-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline (CID 129087732) is 6-[3,5-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 6-[3,5-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 6-[3,5-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline is c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)cc(-c4nc5ccccc5c5c4oc4ccccc45)c3)cc2)cc1.
What is the InChIKey of 6-[3,5-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline?
The InChIKey is BCIYIPYMWBVRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5O/c1-3-15-40(16-4-1)58-61-50-22-10-12-24-52(50)63(58)45-31-27-38(28-32-45)42-35-43(37-44(36-42)56-57-55(47-19-7-9-21-49(47)60-56)48-20-8-14-26-54(48)65-57)39-29-33-46(34-30-39)64-53-25-13-11-23-51(53)62-59(64)41-17-5-2-6-18-41/h1-37H.
What are the key properties of 6-[3,5-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline?
6-[3,5-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline has a molecular weight of 831.98 g/mol, XLogP of 15.15, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 129087732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).