2,3,4-triphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]furo[3,2-c]quinoline

C48H31N3O — CID 164716596

IUPAC2,3,4-triphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]furo[3,2-c]quinoline
SMILESc1ccc(-c2oc3c(c(-c4ccccc4)nc4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc43)c2-c2ccccc2)cc1
InChIInChI=1S/C48H31N3O/c1-5-15-33(16-6-1)43-44-45(34-17-7-2-8-18-34)49-41-31-37(29-30-39(41)47(44)52-46(43)35-19-9-3-10-20-35)32-25-27-36(28-26-32)48-50-40-23-13-14-24-42(40)51(48)38-21-11-4-12-22-38/h1-31H
InChIKeyWDTRGQNTOOFSFF-UHFFFAOYSA-N
MW665.80 g/mol
LogP12.65
Rot. Bonds6

About 2,3,4-triphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]furo[3,2-c]quinoline

2,3,4-triphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]furo[3,2-c]quinoline (PubChem CID 164716596) has the molecular formula C48H31N3O and a molecular weight of 665.80 g/mol. Its IUPAC name is 2,3,4-triphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]furo[3,2-c]quinoline.

Molecular Properties

Compound Name2,3,4-triphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]furo[3,2-c]quinoline
PubChem CID164716596
Molecular FormulaC48H31N3O
Molecular Weight665.80 g/mol
Exact Mass665.25
IUPAC Name2,3,4-triphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]furo[3,2-c]quinoline
SMILESc1ccc(-c2oc3c(c(-c4ccccc4)nc4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc43)c2-c2ccccc2)cc1
InChIInChI=1S/C48H31N3O/c1-5-15-33(16-6-1)43-44-45(34-17-7-2-8-18-34)49-41-31-37(29-30-39(41)47(44)52-46(43)35-19-9-3-10-20-35)32-25-27-36(28-26-32)48-50-40-23-13-14-24-42(40)51(48)38-21-11-4-12-22-38/h1-31H
InChIKeyWDTRGQNTOOFSFF-UHFFFAOYSA-N
XLogP12.65
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-diphenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]furo[3,2-c]quinoline;4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-diphenylfuro[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-diphenylfuro[3,2-c]quinoline
CID 165096165
6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129086228
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine
CID 129122960
7-[3,5-di(carbazol-9-yl)phenyl]-1,2,4-triphenylfuro[2,3-c]quinoline
CID 164716068
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
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
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
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
3,4-diphenyl-2-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]quinoline
CID 164716850
6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085901
1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole
CID 155140715

Frequently Asked Questions

What is the IUPAC name of 2,3,4-triphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]furo[3,2-c]quinoline?
The IUPAC name of 2,3,4-triphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]furo[3,2-c]quinoline (CID 164716596) is 2,3,4-triphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]furo[3,2-c]quinoline.
What is the SMILES notation for 2,3,4-triphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]furo[3,2-c]quinoline?
The canonical SMILES for 2,3,4-triphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]furo[3,2-c]quinoline is c1ccc(-c2oc3c(c(-c4ccccc4)nc4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc43)c2-c2ccccc2)cc1.
What is the InChIKey of 2,3,4-triphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]furo[3,2-c]quinoline?
The InChIKey is WDTRGQNTOOFSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3O/c1-5-15-33(16-6-1)43-44-45(34-17-7-2-8-18-34)49-41-31-37(29-30-39(41)47(44)52-46(43)35-19-9-3-10-20-35)32-25-27-36(28-26-32)48-50-40-23-13-14-24-42(40)51(48)38-21-11-4-12-22-38/h1-31H.
What are the key properties of 2,3,4-triphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]furo[3,2-c]quinoline?
2,3,4-triphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]furo[3,2-c]quinoline has a molecular weight of 665.80 g/mol, XLogP of 12.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-triphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]furo[3,2-c]quinoline is sourced from PubChem (CID 164716596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).