12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole

C37H23N3O — CID 90324714

IUPAC12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2nc3ccccc3n2-c2cccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)cc1
InChIInChI=1S/C37H23N3O/c1-2-11-24(12-3-1)37-38-30-17-6-8-19-32(30)40(37)26-14-10-13-25(23-26)39-31-18-7-4-15-27(31)28-21-22-34-35(36(28)39)29-16-5-9-20-33(29)41-34/h1-23H
InChIKeyQLDFYMDGXVMINF-UHFFFAOYSA-N
MW525.61 g/mol
LogP9.69
Rot. Bonds3

About 12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole

12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 90324714) has the molecular formula C37H23N3O and a molecular weight of 525.61 g/mol. Its IUPAC name is 12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
PubChem CID90324714
Molecular FormulaC37H23N3O
Molecular Weight525.61 g/mol
Exact Mass525.18
IUPAC Name12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2nc3ccccc3n2-c2cccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)cc1
InChIInChI=1S/C37H23N3O/c1-2-11-24(12-3-1)37-38-30-17-6-8-19-32(30)40(37)26-14-10-13-25(23-26)39-31-18-7-4-15-27(31)28-21-22-34-35(36(28)39)29-16-5-9-20-33(29)41-34/h1-23H
InChIKeyQLDFYMDGXVMINF-UHFFFAOYSA-N
XLogP9.69
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-[3-[4,6-bis[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 126630971
1-dibenzofuran-2-yl-2-phenylbenzimidazole
CID 58401031
3-phenyl-14-[3-(2-phenylbenzimidazol-1-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123588
11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole
CID 90324561
12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163673280
12-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 130334102
2-phenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole
CID 146337803
4-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678197
14-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122380
11-phenyl-8-[9-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]benzo[a]carbazole
CID 134594977
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 156674049
1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole
CID 58037471

Frequently Asked Questions

What is the IUPAC name of 12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole (CID 90324714) is 12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2nc3ccccc3n2-c2cccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)cc1.
What is the InChIKey of 12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is QLDFYMDGXVMINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O/c1-2-11-24(12-3-1)37-38-30-17-6-8-19-32(30)40(37)26-14-10-13-25(23-26)39-31-18-7-4-15-27(31)28-21-22-34-35(36(28)39)29-16-5-9-20-33(29)41-34/h1-23H.
What are the key properties of 12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 525.61 g/mol, XLogP of 9.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 90324714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).