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

C40H25N3O — CID 129086228

IUPAC6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6ccccc6c6oc7ccccc7c56)cc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C40H25N3O/c1-2-10-30(11-3-1)43-35-16-8-7-15-34(35)42-40(43)29-24-20-27(21-25-29)26-18-22-28(23-19-26)38-37-32-13-5-9-17-36(32)44-39(37)31-12-4-6-14-33(31)41-38/h1-25H
InChIKeyZYUZDCHLCPTCEZ-UHFFFAOYSA-N
MW563.66 g/mol
LogP10.47
Rot. Bonds4

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

6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline (PubChem CID 129086228) has the molecular formula C40H25N3O and a molecular weight of 563.66 g/mol. Its IUPAC name is 6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
PubChem CID129086228
Molecular FormulaC40H25N3O
Molecular Weight563.66 g/mol
Exact Mass563.20
IUPAC Name6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6ccccc6c6oc7ccccc7c56)cc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C40H25N3O/c1-2-10-30(11-3-1)43-35-16-8-7-15-34(35)42-40(43)29-24-20-27(21-25-29)26-18-22-28(23-19-26)38-37-32-13-5-9-17-36(32)44-39(37)31-12-4-6-14-33(31)41-38/h1-25H
InChIKeyZYUZDCHLCPTCEZ-UHFFFAOYSA-N
XLogP10.47
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085901
12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine
CID 129122960
6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129087743
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-[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
6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129086158
2,3,4-triphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]furo[3,2-c]quinoline
CID 164716596
14-phenyl-2-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246335
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
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
4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 169048383

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline (CID 129086228) is 6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline is c1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6ccccc6c6oc7ccccc7c56)cc4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The InChIKey is ZYUZDCHLCPTCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3O/c1-2-10-30(11-3-1)43-35-16-8-7-15-34(35)42-40(43)29-24-20-27(21-25-29)26-18-22-28(23-19-26)38-37-32-13-5-9-17-36(32)44-39(37)31-12-4-6-14-33(31)41-38/h1-25H.
What are the key properties of 6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline has a molecular weight of 563.66 g/mol, XLogP of 10.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 129086228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).