6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline

C52H32N4O — CID 129086158

IUPAC6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4nc5ccccc5c5c4oc4ccccc45)cc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C52H32N4O/c1-2-14-34(15-3-1)52-54-44-21-9-12-24-47(44)56(52)37-28-26-33(27-29-37)35-30-36(32-38(31-35)55-45-22-10-5-16-39(45)40-17-6-11-23-46(40)55)50-51-49(41-18-4-8-20-43(41)53-50)42-19-7-13-25-48(42)57-51/h1-32H
InChIKeyOHSOKLOZUWKAAY-UHFFFAOYSA-N
MW728.86 g/mol
LogP13.57
Rot. Bonds5

About 6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline

6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline (PubChem CID 129086158) has the molecular formula C52H32N4O and a molecular weight of 728.86 g/mol. Its IUPAC name is 6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
PubChem CID129086158
Molecular FormulaC52H32N4O
Molecular Weight728.86 g/mol
Exact Mass728.26
IUPAC Name6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4nc5ccccc5c5c4oc4ccccc45)cc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C52H32N4O/c1-2-14-34(15-3-1)52-54-44-21-9-12-24-47(44)56(52)37-28-26-33(27-29-37)35-30-36(32-38(31-35)55-45-22-10-5-16-39(45)40-17-6-11-23-46(40)55)50-51-49(41-18-4-8-20-43(41)53-50)42-19-7-13-25-48(42)57-51/h1-32H
InChIKeyOHSOKLOZUWKAAY-UHFFFAOYSA-N
XLogP13.57
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085901
14-[4-[4-(2-phenylbenzimidazol-1-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 129123139
14-[3-[4-(1-phenylbenzimidazol-2-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 129123629
6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129087743
6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]-5-[4-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129087736
6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129086228
14-[4-[3-(2-phenylbenzimidazol-1-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 129123411
12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine
CID 129122960
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-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
CID 138513039
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934

Frequently Asked Questions

What is the IUPAC name of 6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline (CID 129086158) is 6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline is c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4nc5ccccc5c5c4oc4ccccc45)cc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1.
What is the InChIKey of 6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline?
The InChIKey is OHSOKLOZUWKAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O/c1-2-14-34(15-3-1)52-54-44-21-9-12-24-47(44)56(52)37-28-26-33(27-29-37)35-30-36(32-38(31-35)55-45-22-10-5-16-39(45)40-17-6-11-23-46(40)55)50-51-49(41-18-4-8-20-43(41)53-50)42-19-7-13-25-48(42)57-51/h1-32H.
What are the key properties of 6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline?
6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline has a molecular weight of 728.86 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 129086158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).