lithium;benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]methanimine;N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline

C66H73LiN6 — CID 159677461

About lithium;benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]methanimine;N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline

lithium;benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]methanimine;N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline (PubChem CID 159677461) has the molecular formula C66H73LiN6 and a molecular weight of 957.29 g/mol. Its IUPAC name is lithium;benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]methanimine;N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

• Compound Name: lithium;benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]methanimine;N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
• PubChem CID: 159677461
• Molecular Formula: C66H73LiN6
• Molecular Weight: 957.29 g/mol
• Exact Mass: 956.61
• IUPAC Name: lithium;benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]methanimine;N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
• SMILES: CC1Cc2cccc(-c3cccc(/C=N/c4c(C(C)C)cccc4C(C)C)n3)c2N1.CC1Cc2cccc(-c3cccc(C(Nc4c(C(C)C)cccc4C(C)C)c4ccccc4)n3)c2N1.[Li+].[c-]1ccccc1
• InChI: InChI=1S/C33H37N3.C27H31N3.C6H5.Li/c1-21(2)26-15-10-16-27(22(3)4)33(26)36-32(24-12-7-6-8-13-24)30-19-11-18-29(35-30)28-17-9-14-25-20-23(5)34-31(25)28;1-17(2)22-11-8-12-23(18(3)4)27(22)28-16-21-10-7-14-25(30-21)24-13-6-9-20-15-19(5)29-26(20)24;1-2-4-6-5-3-1;/h6-19,21-23,32,34,36H,20H2,1-5H3;6-14,16-19,29H,15H2,1-5H3;1-5H;/q;;-1;+1/b;28-16+
• InChIKey: ZRULVTLEJUYPPA-ZYQCXLBGSA-N
• XLogP: 14.15
• TPSA: 74.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.29
LogP ≤ 5	14.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]methanimine;N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline?

The IUPAC name of lithium;benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]methanimine;N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline (CID 159677461) is lithium;benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]methanimine;N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline.

What is the SMILES notation for lithium;benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]methanimine;N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline?

The canonical SMILES for lithium;benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]methanimine;N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline is CC1Cc2cccc(-c3cccc(/C=N/c4c(C(C)C)cccc4C(C)C)n3)c2N1.CC1Cc2cccc(-c3cccc(C(Nc4c(C(C)C)cccc4C(C)C)c4ccccc4)n3)c2N1.[Li+].[c-]1ccccc1.

What is the InChIKey of lithium;benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]methanimine;N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline?

The InChIKey is ZRULVTLEJUYPPA-ZYQCXLBGSA-N. The full InChI is InChI=1S/C33H37N3.C27H31N3.C6H5.Li/c1-21(2)26-15-10-16-27(22(3)4)33(26)36-32(24-12-7-6-8-13-24)30-19-11-18-29(35-30)28-17-9-14-25-20-23(5)34-31(25)28;1-17(2)22-11-8-12-23(18(3)4)27(22)28-16-21-10-7-14-25(30-21)24-13-6-9-20-15-19(5)29-26(20)24;1-2-4-6-5-3-1;/h6-19,21-23,32,34,36H,20H2,1-5H3;6-14,16-19,29H,15H2,1-5H3;1-5H;/q;;-1;+1/b;28-16+;;.

What are the key properties of lithium;benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]methanimine;N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline?

lithium;benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]methanimine;N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 957.29 g/mol, XLogP of 14.15, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]methanimine;N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 159677461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).