6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-ol;bis(5-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-pyridin-4-ylpentan-2-one);bis(2,8-dimethyl-5-(2-pyridin-4-ylpentyl)-3,4-dihydro-1H-pyrido[4,3-b]indole)

C118H147N15O3 — CID 158005943

About 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-ol;bis(5-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-pyridin-4-ylpentan-2-one);bis(2,8-dimethyl-5-(2-pyridin-4-ylpentyl)-3,4-dihydro-1H-pyrido[4,3-b]indole)

6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-ol;bis(5-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-pyridin-4-ylpentan-2-one);bis(2,8-dimethyl-5-(2-pyridin-4-ylpentyl)-3,4-dihydro-1H-pyrido[4,3-b]indole) (PubChem CID 158005943) has the molecular formula C118H147N15O3 and a molecular weight of 1823.58 g/mol. Its IUPAC name is 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-ol;bis(5-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-pyridin-4-ylpentan-2-one);bis(2,8-dimethyl-5-(2-pyridin-4-ylpentyl)-3,4-dihydro-1H-pyrido[4,3-b]indole).

Molecular Properties

• Compound Name: 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-ol;bis(5-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-pyridin-4-ylpentan-2-one);bis(2,8-dimethyl-5-(2-pyridin-4-ylpentyl)-3,4-dihydro-1H-pyrido[4,3-b]indole)
• PubChem CID: 158005943
• Molecular Formula: C118H147N15O3
• Molecular Weight: 1823.58 g/mol
• Exact Mass: 1822.18
• IUPAC Name: 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-ol;bis(5-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-pyridin-4-ylpentan-2-one);bis(2,8-dimethyl-5-(2-pyridin-4-ylpentyl)-3,4-dihydro-1H-pyrido[4,3-b]indole)
• SMILES: CC(=O)CC(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.CC(=O)CC(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.CCCC(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.CCCC(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.Cc1ccc2c(c1)c1c(n2CC(CC(O)C(C)(C)C)c2ccncc2)CCN(C)C1
• InChI: InChI=1S/C26H35N3O.2C23H27N3O.2C23H29N3/c1-18-6-7-23-21(14-18)22-17-28(5)13-10-24(22)29(23)16-20(15-25(30)26(2,3)4)19-8-11-27-12-9-19;2*1-16-4-5-22-20(12-16)21-15-25(3)11-8-23(21)26(22)14-19(13-17(2)27)18-6-9-24-10-7-18;2*1-4-5-19(18-8-11-24-12-9-18)15-26-22-7-6-17(2)14-20(22)21-16-25(3)13-10-23(21)26/h6-9,11-12,14,20,25,30H,10,13,15-17H2,1-5H3;2*4-7,9-10,12,19H,8,11,13-15H2,1-3H3;2*6-9,11-12,14,19H,4-5,10,13,15-16H2,1-3H3
• InChIKey: FEHHYFCGJJFBBN-UHFFFAOYSA-N
• XLogP: 22.94
• TPSA: 159.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1823.58
LogP ≤ 5	22.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-ol;bis(5-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-pyridin-4-ylpentan-2-one);bis(2,8-dimethyl-5-(2-pyridin-4-ylpentyl)-3,4-dihydro-1H-pyrido[4,3-b]indole)?

The IUPAC name of 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-ol;bis(5-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-pyridin-4-ylpentan-2-one);bis(2,8-dimethyl-5-(2-pyridin-4-ylpentyl)-3,4-dihydro-1H-pyrido[4,3-b]indole) (CID 158005943) is 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-ol;bis(5-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-pyridin-4-ylpentan-2-one);bis(2,8-dimethyl-5-(2-pyridin-4-ylpentyl)-3,4-dihydro-1H-pyrido[4,3-b]indole).

What is the SMILES notation for 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-ol;bis(5-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-pyridin-4-ylpentan-2-one);bis(2,8-dimethyl-5-(2-pyridin-4-ylpentyl)-3,4-dihydro-1H-pyrido[4,3-b]indole)?

The canonical SMILES for 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-ol;bis(5-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-pyridin-4-ylpentan-2-one);bis(2,8-dimethyl-5-(2-pyridin-4-ylpentyl)-3,4-dihydro-1H-pyrido[4,3-b]indole) is CC(=O)CC(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.CC(=O)CC(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.CCCC(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.CCCC(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.Cc1ccc2c(c1)c1c(n2CC(CC(O)C(C)(C)C)c2ccncc2)CCN(C)C1.

What is the InChIKey of 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-ol;bis(5-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-pyridin-4-ylpentan-2-one);bis(2,8-dimethyl-5-(2-pyridin-4-ylpentyl)-3,4-dihydro-1H-pyrido[4,3-b]indole)?

The InChIKey is FEHHYFCGJJFBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O.2C23H27N3O.2C23H29N3/c1-18-6-7-23-21(14-18)22-17-28(5)13-10-24(22)29(23)16-20(15-25(30)26(2,3)4)19-8-11-27-12-9-19;2*1-16-4-5-22-20(12-16)21-15-25(3)11-8-23(21)26(22)14-19(13-17(2)27)18-6-9-24-10-7-18;2*1-4-5-19(18-8-11-24-12-9-18)15-26-22-7-6-17(2)14-20(22)21-16-25(3)13-10-23(21)26/h6-9,11-12,14,20,25,30H,10,13,15-17H2,1-5H3;2*4-7,9-10,12,19H,8,11,13-15H2,1-3H3;2*6-9,11-12,14,19H,4-5,10,13,15-16H2,1-3H3.

What are the key properties of 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-ol;bis(5-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-pyridin-4-ylpentan-2-one);bis(2,8-dimethyl-5-(2-pyridin-4-ylpentyl)-3,4-dihydro-1H-pyrido[4,3-b]indole)?

6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-ol;bis(5-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-pyridin-4-ylpentan-2-one);bis(2,8-dimethyl-5-(2-pyridin-4-ylpentyl)-3,4-dihydro-1H-pyrido[4,3-b]indole) has a molecular weight of 1823.58 g/mol, XLogP of 22.94, 25 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-ol;bis(5-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-4-pyridin-4-ylpentan-2-one);bis(2,8-dimethyl-5-(2-pyridin-4-ylpentyl)-3,4-dihydro-1H-pyrido[4,3-b]indole) is sourced from PubChem (CID 158005943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).