[2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-inden-1-yl]-[2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1H-inden-1-yl]-diphenyl-λ4-sulfane

C51H48N2S — CID 118370113

About [2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-inden-1-yl]-[2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1H-inden-1-yl]-diphenyl-λ4-sulfane

[2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-inden-1-yl]-[2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1H-inden-1-yl]-diphenyl-λ4-sulfane (PubChem CID 118370113) has the molecular formula C51H48N2S and a molecular weight of 721.03 g/mol. Its IUPAC name is [2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-inden-1-yl]-[2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1H-inden-1-yl]-diphenyl-λ4-sulfane.

Molecular Properties

• Compound Name: [2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-inden-1-yl]-[2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1H-inden-1-yl]-diphenyl-λ4-sulfane
• PubChem CID: 118370113
• Molecular Formula: C51H48N2S
• Molecular Weight: 721.03 g/mol
• Exact Mass: 720.35
• IUPAC Name: [2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-inden-1-yl]-[2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1H-inden-1-yl]-diphenyl-λ4-sulfane
• SMILES: CC1=Cc2c(cccc2N2c3ccccc3CCC2C)C1S(c1ccccc1)(c1ccccc1)C1C(C)=Cc2c1cccc2N1c2ccccc2CC1C
• InChI: InChI=1S/C51H48N2S/c1-34-31-44-42(23-15-27-48(44)52-36(3)29-30-38-17-11-13-25-46(38)52)50(34)54(40-19-7-5-8-20-40,41-21-9-6-10-22-41)51-35(2)32-45-43(51)24-16-28-49(45)53-37(4)33-39-18-12-14-26-47(39)53/h5-28,31-32,36-37,50-51H,29-30,33H2,1-4H3
• InChIKey: UOZKFKYDZHVZGT-UHFFFAOYSA-N
• XLogP: 13.78
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.03
LogP ≤ 5	13.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-inden-1-yl]-[2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1H-inden-1-yl]-diphenyl-λ4-sulfane?

The IUPAC name of [2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-inden-1-yl]-[2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1H-inden-1-yl]-diphenyl-λ4-sulfane (CID 118370113) is [2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-inden-1-yl]-[2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1H-inden-1-yl]-diphenyl-λ4-sulfane.

What is the SMILES notation for [2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-inden-1-yl]-[2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1H-inden-1-yl]-diphenyl-λ4-sulfane?

The canonical SMILES for [2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-inden-1-yl]-[2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1H-inden-1-yl]-diphenyl-λ4-sulfane is CC1=Cc2c(cccc2N2c3ccccc3CCC2C)C1S(c1ccccc1)(c1ccccc1)C1C(C)=Cc2c1cccc2N1c2ccccc2CC1C.

What is the InChIKey of [2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-inden-1-yl]-[2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1H-inden-1-yl]-diphenyl-λ4-sulfane?

The InChIKey is UOZKFKYDZHVZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H48N2S/c1-34-31-44-42(23-15-27-48(44)52-36(3)29-30-38-17-11-13-25-46(38)52)50(34)54(40-19-7-5-8-20-40,41-21-9-6-10-22-41)51-35(2)32-45-43(51)24-16-28-49(45)53-37(4)33-39-18-12-14-26-47(39)53/h5-28,31-32,36-37,50-51H,29-30,33H2,1-4H3.

What are the key properties of [2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-inden-1-yl]-[2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1H-inden-1-yl]-diphenyl-λ4-sulfane?

[2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-inden-1-yl]-[2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1H-inden-1-yl]-diphenyl-λ4-sulfane has a molecular weight of 721.03 g/mol, XLogP of 13.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-inden-1-yl]-[2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1H-inden-1-yl]-diphenyl-λ4-sulfane is sourced from PubChem (CID 118370113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).