5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole

C153H102N12O6 — CID 161427199

IUPAC5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)c2oc3ccccc3c2c1.Cc1cc(-n2c3ccccc3c3ccccc32)cc2c1oc1ccccc12.Cc1cc(-n2c3ccccc3n3c4ccccc4nc23)cc2c1oc1ccccc12.Cc1ccc2oc3c(-n4c5ccccc5c5ccccc54)cccc3c2c1.Cc1ccc2oc3c(-n4c5ccccc5n5c6ccccc6nc45)cccc3c2c1.Cc1cccc2c1oc1ccc(-n3c4ccccc4n4c5ccccc5nc34)cc12
InChIInChI=1S/3C26H17N3O.3C25H17NO/c1-16-14-17(15-19-18-8-2-7-13-24(18)30-25(16)19)28-22-11-5-6-12-23(22)29-21-10-4-3-9-20(21)27-26(28)29;1-16-7-6-8-18-19-15-17(13-14-24(19)30-25(16)18)28-22-11-4-5-12-23(22)29-21-10-3-2-9-20(21)27-26(28)29;1-16-13-14-24-18(15-16)17-7-6-12-23(25(17)30-24)29-22-11-5-4-10-21(22)28-20-9-3-2-8-19(20)27-26(28)29;1-16-14-17(15-21-20-10-4-7-13-24(20)27-25(16)21)26-22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-16-14-20-19-10-4-7-13-24(19)27-25(20)23(15-16)26-21-11-5-2-8-17(21)18-9-3-6-12-22(18)26;1-16-13-14-24-20(15-16)19-9-6-12-23(25(19)27-24)26-21-10-4-2-7-17(21)18-8-3-5-11-22(18)26/h3*2-15H,1H3;3*2-15H,1H3
InChIKeyVXNCIROMILNOGI-UHFFFAOYSA-N
MW2204.58 g/mol
LogP40.89
Rot. Bonds6

About 5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole

5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole (PubChem CID 161427199) has the molecular formula C153H102N12O6 and a molecular weight of 2204.58 g/mol. Its IUPAC name is 5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole.

Molecular Properties

Compound Name5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole
PubChem CID161427199
Molecular FormulaC153H102N12O6
Molecular Weight2204.58 g/mol
Exact Mass2202.80
IUPAC Name5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)c2oc3ccccc3c2c1.Cc1cc(-n2c3ccccc3c3ccccc32)cc2c1oc1ccccc12.Cc1cc(-n2c3ccccc3n3c4ccccc4nc23)cc2c1oc1ccccc12.Cc1ccc2oc3c(-n4c5ccccc5c5ccccc54)cccc3c2c1.Cc1ccc2oc3c(-n4c5ccccc5n5c6ccccc6nc45)cccc3c2c1.Cc1cccc2c1oc1ccc(-n3c4ccccc4n4c5ccccc5nc34)cc12
InChIInChI=1S/3C26H17N3O.3C25H17NO/c1-16-14-17(15-19-18-8-2-7-13-24(18)30-25(16)19)28-22-11-5-6-12-23(22)29-21-10-4-3-9-20(21)27-26(28)29;1-16-7-6-8-18-19-15-17(13-14-24(19)30-25(16)18)28-22-11-4-5-12-23(22)29-21-10-3-2-9-20(21)27-26(28)29;1-16-13-14-24-18(15-16)17-7-6-12-23(25(17)30-24)29-22-11-5-4-10-21(22)28-20-9-3-2-8-19(20)27-26(28)29;1-16-14-17(15-21-20-10-4-7-13-24(20)27-25(16)21)26-22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-16-14-20-19-10-4-7-13-24(19)27-25(20)23(15-16)26-21-11-5-2-8-17(21)18-9-3-6-12-22(18)26;1-16-13-14-24-20(15-16)19-9-6-12-23(25(19)27-24)26-21-10-4-2-7-17(21)18-8-3-5-11-22(18)26/h3*2-15H,1H3;3*2-15H,1H3
InChIKeyVXNCIROMILNOGI-UHFFFAOYSA-N
XLogP40.89
TPSA160.32 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002204.58
LogP ≤ 540.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole?
The IUPAC name of 5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole (CID 161427199) is 5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole.
What is the SMILES notation for 5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole?
The canonical SMILES for 5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole is Cc1cc(-n2c3ccccc3c3ccccc32)c2oc3ccccc3c2c1.Cc1cc(-n2c3ccccc3c3ccccc32)cc2c1oc1ccccc12.Cc1cc(-n2c3ccccc3n3c4ccccc4nc23)cc2c1oc1ccccc12.Cc1ccc2oc3c(-n4c5ccccc5c5ccccc54)cccc3c2c1.Cc1ccc2oc3c(-n4c5ccccc5n5c6ccccc6nc45)cccc3c2c1.Cc1cccc2c1oc1ccc(-n3c4ccccc4n4c5ccccc5nc34)cc12.
What is the InChIKey of 5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole?
The InChIKey is VXNCIROMILNOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C26H17N3O.3C25H17NO/c1-16-14-17(15-19-18-8-2-7-13-24(18)30-25(16)19)28-22-11-5-6-12-23(22)29-21-10-4-3-9-20(21)27-26(28)29;1-16-7-6-8-18-19-15-17(13-14-24(19)30-25(16)18)28-22-11-4-5-12-23(22)29-21-10-3-2-9-20(21)27-26(28)29;1-16-13-14-24-18(15-16)17-7-6-12-23(25(17)30-24)29-22-11-5-4-10-21(22)28-20-9-3-2-8-19(20)27-26(28)29;1-16-14-17(15-21-20-10-4-7-13-24(20)27-25(16)21)26-22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-16-14-20-19-10-4-7-13-24(19)27-25(20)23(15-16)26-21-11-5-2-8-17(21)18-9-3-6-12-22(18)26;1-16-13-14-24-20(15-16)19-9-6-12-23(25(19)27-24)26-21-10-4-2-7-17(21)18-8-3-5-11-22(18)26/h3*2-15H,1H3;3*2-15H,1H3.
What are the key properties of 5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole?
5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole has a molecular weight of 2204.58 g/mol, XLogP of 40.89, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole is sourced from PubChem (CID 161427199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).