3-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile;bis(3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);1-(4-hydroxycyclohexyl)-6-methyl-3-(2-methylidene-3,4-dihydro-1H-quinolin-5-yl)indole-5-carbonitrile;molecular hydrogen

C129H141N13O5 — CID 158428141

About 3-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile;bis(3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);1-(4-hydroxycyclohexyl)-6-methyl-3-(2-methylidene-3,4-dihydro-1H-quinolin-5-yl)indole-5-carbonitrile;molecular hydrogen

3-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile;bis(3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);1-(4-hydroxycyclohexyl)-6-methyl-3-(2-methylidene-3,4-dihydro-1H-quinolin-5-yl)indole-5-carbonitrile;molecular hydrogen (PubChem CID 158428141) has the molecular formula C129H141N13O5 and a molecular weight of 1953.63 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile;bis(3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);1-(4-hydroxycyclohexyl)-6-methyl-3-(2-methylidene-3,4-dihydro-1H-quinolin-5-yl)indole-5-carbonitrile;molecular hydrogen.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile;bis(3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);1-(4-hydroxycyclohexyl)-6-methyl-3-(2-methylidene-3,4-dihydro-1H-quinolin-5-yl)indole-5-carbonitrile;molecular hydrogen
• PubChem CID: 158428141
• Molecular Formula: C129H141N13O5
• Molecular Weight: 1953.63 g/mol
• Exact Mass: 1952.12
• IUPAC Name: 3-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile;bis(3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);1-(4-hydroxycyclohexyl)-6-methyl-3-(2-methylidene-3,4-dihydro-1H-quinolin-5-yl)indole-5-carbonitrile;molecular hydrogen
• SMILES: C=C1CCc2c(cccc2-c2cn(C3CCC(O)CC3)c3cc(C)c(C#N)cc23)N1.Cc1cc2c(cc1C#N)c(-c1cccc3c1CC(C)(C)CN3)cn2C1CCC(O)CC1.Cc1cc2c(cc1C#N)c(-c1cccc3c1CC(C)(C)CN3)cn2C1CCC(O)CC1.Cc1cc2c(cc1C#N)c(-c1cccc3c1CCC3)cn2C1CCC(O)CC1.Cc1cc2c(cc1C#N)c(-c1cccc3c1CCC3)cn2[C@@H]1CC[C@@H](O)C1.[H][H]
• InChI: InChI=1S/2C27H31N3O.C26H27N3O.C25H26N2O.C24H24N2O.H2/c2*1-17-11-26-22(12-18(17)14-28)24(15-30(26)19-7-9-20(31)10-8-19)21-5-4-6-25-23(21)13-27(2,3)16-29-25;1-16-12-26-23(13-18(16)14-27)24(15-29(26)19-7-9-20(30)10-8-19)21-4-3-5-25-22(21)11-6-17(2)28-25;1-16-12-25-23(13-18(16)14-26)24(15-27(25)19-8-10-20(28)11-9-19)22-7-3-5-17-4-2-6-21(17)22;1-15-10-24-22(11-17(15)13-25)23(14-26(24)18-8-9-19(27)12-18)21-7-3-5-16-4-2-6-20(16)21;/h2*4-6,11-12,15,19-20,29,31H,7-10,13,16H2,1-3H3;3-5,12-13,15,19-20,28,30H,2,6-11H2,1H3;3,5,7,12-13,15,19-20,28H,2,4,6,8-11H2,1H3;3,5,7,10-11,14,18-19,27H,2,4,6,8-9,12H2,1H3;1H/t;;;;18-,19-;/m....1./s1
• InChIKey: HBHVPUUFSHPJSR-BGIQVZNKSA-N
• XLogP: 28.52
• TPSA: 280.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1953.63
LogP ≤ 5	28.52
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile;bis(3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);1-(4-hydroxycyclohexyl)-6-methyl-3-(2-methylidene-3,4-dihydro-1H-quinolin-5-yl)indole-5-carbonitrile;molecular hydrogen?

The IUPAC name of 3-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile;bis(3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);1-(4-hydroxycyclohexyl)-6-methyl-3-(2-methylidene-3,4-dihydro-1H-quinolin-5-yl)indole-5-carbonitrile;molecular hydrogen (CID 158428141) is 3-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile;bis(3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);1-(4-hydroxycyclohexyl)-6-methyl-3-(2-methylidene-3,4-dihydro-1H-quinolin-5-yl)indole-5-carbonitrile;molecular hydrogen.

What is the SMILES notation for 3-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile;bis(3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);1-(4-hydroxycyclohexyl)-6-methyl-3-(2-methylidene-3,4-dihydro-1H-quinolin-5-yl)indole-5-carbonitrile;molecular hydrogen?

The canonical SMILES for 3-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile;bis(3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);1-(4-hydroxycyclohexyl)-6-methyl-3-(2-methylidene-3,4-dihydro-1H-quinolin-5-yl)indole-5-carbonitrile;molecular hydrogen is C=C1CCc2c(cccc2-c2cn(C3CCC(O)CC3)c3cc(C)c(C#N)cc23)N1.Cc1cc2c(cc1C#N)c(-c1cccc3c1CC(C)(C)CN3)cn2C1CCC(O)CC1.Cc1cc2c(cc1C#N)c(-c1cccc3c1CC(C)(C)CN3)cn2C1CCC(O)CC1.Cc1cc2c(cc1C#N)c(-c1cccc3c1CCC3)cn2C1CCC(O)CC1.Cc1cc2c(cc1C#N)c(-c1cccc3c1CCC3)cn2[C@@H]1CC[C@@H](O)C1.[H][H].

What is the InChIKey of 3-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile;bis(3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);1-(4-hydroxycyclohexyl)-6-methyl-3-(2-methylidene-3,4-dihydro-1H-quinolin-5-yl)indole-5-carbonitrile;molecular hydrogen?

The InChIKey is HBHVPUUFSHPJSR-BGIQVZNKSA-N. The full InChI is InChI=1S/2C27H31N3O.C26H27N3O.C25H26N2O.C24H24N2O.H2/c2*1-17-11-26-22(12-18(17)14-28)24(15-30(26)19-7-9-20(31)10-8-19)21-5-4-6-25-23(21)13-27(2,3)16-29-25;1-16-12-26-23(13-18(16)14-27)24(15-29(26)19-7-9-20(30)10-8-19)21-4-3-5-25-22(21)11-6-17(2)28-25;1-16-12-25-23(13-18(16)14-26)24(15-27(25)19-8-10-20(28)11-9-19)22-7-3-5-17-4-2-6-21(17)22;1-15-10-24-22(11-17(15)13-25)23(14-26(24)18-8-9-19(27)12-18)21-7-3-5-16-4-2-6-20(16)21;/h2*4-6,11-12,15,19-20,29,31H,7-10,13,16H2,1-3H3;3-5,12-13,15,19-20,28,30H,2,6-11H2,1H3;3,5,7,12-13,15,19-20,28H,2,4,6,8-11H2,1H3;3,5,7,10-11,14,18-19,27H,2,4,6,8-9,12H2,1H3;1H/t;;;;18-,19-;/m....1./s1.

What are the key properties of 3-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile;bis(3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);1-(4-hydroxycyclohexyl)-6-methyl-3-(2-methylidene-3,4-dihydro-1H-quinolin-5-yl)indole-5-carbonitrile;molecular hydrogen?

3-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile;bis(3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);1-(4-hydroxycyclohexyl)-6-methyl-3-(2-methylidene-3,4-dihydro-1H-quinolin-5-yl)indole-5-carbonitrile;molecular hydrogen has a molecular weight of 1953.63 g/mol, XLogP of 28.52, 10 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile;3-(2,3-dihydro-1H-inden-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile;bis(3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-5-yl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile);1-(4-hydroxycyclohexyl)-6-methyl-3-(2-methylidene-3,4-dihydro-1H-quinolin-5-yl)indole-5-carbonitrile;molecular hydrogen is sourced from PubChem (CID 158428141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).