12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole

C41H33N3 — CID 144548979

About 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole

12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole (PubChem CID 144548979) has the molecular formula C41H33N3 and a molecular weight of 567.74 g/mol. Its IUPAC name is 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole.

Molecular Properties

• Compound Name: 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole
• PubChem CID: 144548979
• Molecular Formula: C41H33N3
• Molecular Weight: 567.74 g/mol
• Exact Mass: 567.27
• IUPAC Name: 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole
• SMILES: CN1c2cc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)C(C)(C)c4ccccc4-6)c3)ccc2NC1c1ccccc1
• InChI: InChI=1S/C41H33N3/c1-41(2)34-18-9-7-16-30(34)32-21-22-33-31-17-8-10-19-36(31)44(39(33)38(32)41)29-15-11-14-27(24-29)28-20-23-35-37(25-28)43(3)40(42-35)26-12-5-4-6-13-26/h4-25,40,42H,1-3H3
• InChIKey: KAWNTOULTQLPJA-UHFFFAOYSA-N
• XLogP: 10.32
• TPSA: 20.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.74
LogP ≤ 5	10.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole?

The IUPAC name of 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole (CID 144548979) is 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole.

What is the SMILES notation for 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole?

The canonical SMILES for 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole is CN1c2cc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)C(C)(C)c4ccccc4-6)c3)ccc2NC1c1ccccc1.

What is the InChIKey of 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole?

The InChIKey is KAWNTOULTQLPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33N3/c1-41(2)34-18-9-7-16-30(34)32-21-22-33-31-17-8-10-19-36(31)44(39(33)38(32)41)29-15-11-14-27(24-29)28-20-23-35-37(25-28)43(3)40(42-35)26-12-5-4-6-13-26/h4-25,40,42H,1-3H3.

What are the key properties of 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole?

12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole has a molecular weight of 567.74 g/mol, XLogP of 10.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole is sourced from PubChem (CID 144548979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).