5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole

C43H25N3O2 — CID 90324769

IUPAC5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc3oc4ccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)cc4c3c2)cc1
InChIInChI=1S/C43H25N3O2/c1-2-10-26(11-3-1)43-44-34-14-6-8-16-36(34)46(43)28-19-23-40-33(25-28)32-24-27(18-22-39(32)47-40)45-35-15-7-4-13-31(35)41-37(45)21-20-30-29-12-5-9-17-38(29)48-42(30)41/h1-25H
InChIKeyJUIITHWCERCHRJ-UHFFFAOYSA-N
MW615.69 g/mol
LogP11.59
Rot. Bonds3

About 5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole

5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 90324769) has the molecular formula C43H25N3O2 and a molecular weight of 615.69 g/mol. Its IUPAC name is 5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID90324769
Molecular FormulaC43H25N3O2
Molecular Weight615.69 g/mol
Exact Mass615.19
IUPAC Name5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc3oc4ccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)cc4c3c2)cc1
InChIInChI=1S/C43H25N3O2/c1-2-10-26(11-3-1)43-44-34-14-6-8-16-36(34)46(43)28-19-23-40-33(25-28)32-24-27(18-22-39(32)47-40)45-35-15-7-4-13-31(35)41-37(45)21-20-30-29-12-5-9-17-38(29)48-42(30)41/h1-25H
InChIKeyJUIITHWCERCHRJ-UHFFFAOYSA-N
XLogP11.59
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.69
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 90324763
5-(1,2-diphenylbenzimidazol-5-yl)-[1]benzofuro[3,2-c]carbazole
CID 90324654
1-dibenzofuran-2-yl-2-phenylbenzimidazole
CID 58401031
(3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 144549188
5-[8-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 146226881
1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole
CID 58037471
9-[4-(2-phenylbenzimidazol-1-yl)phenyl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 90324797
5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 170276888
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535
5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 90324659
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718
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

Frequently Asked Questions

What is the IUPAC name of 5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole (CID 90324769) is 5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nc3ccccc3n2-c2ccc3oc4ccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)cc4c3c2)cc1.
What is the InChIKey of 5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is JUIITHWCERCHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O2/c1-2-10-26(11-3-1)43-44-34-14-6-8-16-36(34)46(43)28-19-23-40-33(25-28)32-24-27(18-22-39(32)47-40)45-35-15-7-4-13-31(35)41-37(45)21-20-30-29-12-5-9-17-38(29)48-42(30)41/h1-25H.
What are the key properties of 5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole?
5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 615.69 g/mol, XLogP of 11.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 90324769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).