7'-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,7,9-trimethyl-9-(trideuteriomethyl)indeno[2,1-b]pyridine;2,7,9,9-tetramethyl-8-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)indeno[2,1-b]pyridine

C140H150N12+4 — CID 159997927

About 7'-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,7,9-trimethyl-9-(trideuteriomethyl)indeno[2,1-b]pyridine;2,7,9,9-tetramethyl-8-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)indeno[2,1-b]pyridine

7'-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,7,9-trimethyl-9-(trideuteriomethyl)indeno[2,1-b]pyridine;2,7,9,9-tetramethyl-8-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)indeno[2,1-b]pyridine (PubChem CID 159997927) has the molecular formula C140H150N12+4 and a molecular weight of 2003.84 g/mol. Its IUPAC name is 7'-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,7,9-trimethyl-9-(trideuteriomethyl)indeno[2,1-b]pyridine;2,7,9,9-tetramethyl-8-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)indeno[2,1-b]pyridine.

Molecular Properties

• Compound Name: 7'-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,7,9-trimethyl-9-(trideuteriomethyl)indeno[2,1-b]pyridine;2,7,9,9-tetramethyl-8-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)indeno[2,1-b]pyridine
• PubChem CID: 159997927
• Molecular Formula: C140H150N12+4
• Molecular Weight: 2003.84 g/mol
• Exact Mass: 2002.23
• IUPAC Name: 7'-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,7,9-trimethyl-9-(trideuteriomethyl)indeno[2,1-b]pyridine;2,7,9,9-tetramethyl-8-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)indeno[2,1-b]pyridine
• SMILES: Cc1ccc2c(n1)C(C)(C)c1c-2ccc(C)c1-c1n(-c2ccccc2)c2ccccc2[n+]1C.Cc1ccc2c(n1)C(C)(C)c1cc(-c3n(-c4c(C(C)C)cccc4C(C)C)c4ccccc4[n+]3C)c(C)cc1-2.Cc1ccc2c(n1)C1(CCCC1)c1cc(-c3n(-c4c(C(C)C)cccc4C(C)C)c4ccccc4[n+]3C)c(C)cc1-2.[2H]C([2H])([2H])C1(C)c2cc(C)c(-c3n(-c4c(C(C)C)cccc4C(C)C)c4ccccc4[n+]3C)cc2-c2ccc(C)nc21
• InChI: InChI=1S/C38H42N3.2C36H40N3.C30H28N3/c1-23(2)27-13-12-14-28(24(3)4)35(27)41-34-16-9-8-15-33(34)40(7)37(41)30-22-32-31(21-25(30)5)29-18-17-26(6)39-36(29)38(32)19-10-11-20-38;1-21(2)25-13-12-14-26(22(3)4)33(25)39-32-16-11-10-15-31(32)38(9)35(39)28-20-29-27-18-17-24(6)37-34(27)36(7,8)30(29)19-23(28)5;1-21(2)25-13-12-14-26(22(3)4)33(25)39-32-16-11-10-15-31(32)38(9)35(39)28-20-30-29(19-23(28)5)27-18-17-24(6)37-34(27)36(30,7)8;1-19-15-17-22-23-18-16-20(2)31-28(23)30(3,4)27(22)26(19)29-32(5)24-13-9-10-14-25(24)33(29)21-11-7-6-8-12-21/h8-9,12-18,21-24H,10-11,19-20H2,1-7H3;2*10-22H,1-9H3;6-18H,1-5H3/q4*+1/i;7D3
• InChIKey: NTRSPODLDOZXCW-PISZCBGASA-N
• XLogP: 33.04
• TPSA: 86.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2003.84
LogP ≤ 5	33.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7'-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,7,9-trimethyl-9-(trideuteriomethyl)indeno[2,1-b]pyridine;2,7,9,9-tetramethyl-8-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)indeno[2,1-b]pyridine?

The IUPAC name of 7'-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,7,9-trimethyl-9-(trideuteriomethyl)indeno[2,1-b]pyridine;2,7,9,9-tetramethyl-8-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)indeno[2,1-b]pyridine (CID 159997927) is 7'-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,7,9-trimethyl-9-(trideuteriomethyl)indeno[2,1-b]pyridine;2,7,9,9-tetramethyl-8-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)indeno[2,1-b]pyridine.

What is the SMILES notation for 7'-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,7,9-trimethyl-9-(trideuteriomethyl)indeno[2,1-b]pyridine;2,7,9,9-tetramethyl-8-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)indeno[2,1-b]pyridine?

The canonical SMILES for 7'-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,7,9-trimethyl-9-(trideuteriomethyl)indeno[2,1-b]pyridine;2,7,9,9-tetramethyl-8-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)indeno[2,1-b]pyridine is Cc1ccc2c(n1)C(C)(C)c1c-2ccc(C)c1-c1n(-c2ccccc2)c2ccccc2[n+]1C.Cc1ccc2c(n1)C(C)(C)c1cc(-c3n(-c4c(C(C)C)cccc4C(C)C)c4ccccc4[n+]3C)c(C)cc1-2.Cc1ccc2c(n1)C1(CCCC1)c1cc(-c3n(-c4c(C(C)C)cccc4C(C)C)c4ccccc4[n+]3C)c(C)cc1-2.[2H]C([2H])([2H])C1(C)c2cc(C)c(-c3n(-c4c(C(C)C)cccc4C(C)C)c4ccccc4[n+]3C)cc2-c2ccc(C)nc21.

What is the InChIKey of 7'-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,7,9-trimethyl-9-(trideuteriomethyl)indeno[2,1-b]pyridine;2,7,9,9-tetramethyl-8-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)indeno[2,1-b]pyridine?

The InChIKey is NTRSPODLDOZXCW-PISZCBGASA-N. The full InChI is InChI=1S/C38H42N3.2C36H40N3.C30H28N3/c1-23(2)27-13-12-14-28(24(3)4)35(27)41-34-16-9-8-15-33(34)40(7)37(41)30-22-32-31(21-25(30)5)29-18-17-26(6)39-36(29)38(32)19-10-11-20-38;1-21(2)25-13-12-14-26(22(3)4)33(25)39-32-16-11-10-15-31(32)38(9)35(39)28-20-29-27-18-17-24(6)37-34(27)36(7,8)30(29)19-23(28)5;1-21(2)25-13-12-14-26(22(3)4)33(25)39-32-16-11-10-15-31(32)38(9)35(39)28-20-30-29(19-23(28)5)27-18-17-24(6)37-34(27)36(30,7)8;1-19-15-17-22-23-18-16-20(2)31-28(23)30(3,4)27(22)26(19)29-32(5)24-13-9-10-14-25(24)33(29)21-11-7-6-8-12-21/h8-9,12-18,21-24H,10-11,19-20H2,1-7H3;2*10-22H,1-9H3;6-18H,1-5H3/q4*+1/i;7D3;;.

What are the key properties of 7'-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,7,9-trimethyl-9-(trideuteriomethyl)indeno[2,1-b]pyridine;2,7,9,9-tetramethyl-8-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)indeno[2,1-b]pyridine?

7'-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,7,9-trimethyl-9-(trideuteriomethyl)indeno[2,1-b]pyridine;2,7,9,9-tetramethyl-8-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)indeno[2,1-b]pyridine has a molecular weight of 2003.84 g/mol, XLogP of 33.04, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7'-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2',6'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];7-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,6,9,9-tetramethylindeno[2,1-b]pyridine;6-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-2,7,9-trimethyl-9-(trideuteriomethyl)indeno[2,1-b]pyridine;2,7,9,9-tetramethyl-8-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)indeno[2,1-b]pyridine is sourced from PubChem (CID 159997927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).