2-(9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(11-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(10,11c-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(8-ethenyl-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol

C91H102Br2N12O4 — CID 159306264

About 2-(9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(11-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(10,11c-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(8-ethenyl-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol

2-(9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(11-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(10,11c-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(8-ethenyl-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (PubChem CID 159306264) has the molecular formula C91H102Br2N12O4 and a molecular weight of 1587.70 g/mol. Its IUPAC name is 2-(9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(11-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(10,11c-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(8-ethenyl-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol.

Molecular Properties

• Compound Name: 2-(9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(11-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(10,11c-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(8-ethenyl-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
• PubChem CID: 159306264
• Molecular Formula: C91H102Br2N12O4
• Molecular Weight: 1587.70 g/mol
• Exact Mass: 1584.65
• IUPAC Name: 2-(9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(11-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(10,11c-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(8-ethenyl-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol
• SMILES: C=Cc1cc(C)cc2c3c(n(CC(O)c4ccncc4)c12)CCN1CCCC31.Cc1cc2c3c(n(CC(O)c4ccncc4)c2cc1Br)CCN1CCCC31.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CCN2CCCC12C.Cc1ccc2c(c1Br)c1c(n2CC(O)c2ccncc2)CCN2CCCC12
• InChI: InChI=1S/C24H27N3O.C23H27N3O.2C22H24BrN3O/c1-3-17-13-16(2)14-19-23-20-5-4-11-26(20)12-8-21(23)27(24(17)19)15-22(28)18-6-9-25-10-7-18;1-16-4-5-19-18(14-16)22-20(8-13-25-12-3-9-23(22,25)2)26(19)15-21(27)17-6-10-24-11-7-17;1-14-11-16-20(12-17(14)23)26(13-21(27)15-4-7-24-8-5-15)19-6-10-25-9-2-3-18(25)22(16)19;1-14-4-5-17-21(22(14)23)20-16-3-2-11-25(16)12-8-18(20)26(17)13-19(27)15-6-9-24-10-7-15/h3,6-7,9-10,13-14,20,22,28H,1,4-5,8,11-12,15H2,2H3;4-7,10-11,14,21,27H,3,8-9,12-13,15H2,1-2H3;4-5,7-8,11-12,18,21,27H,2-3,6,9-10,13H2,1H3;4-7,9-10,16,19,27H,2-3,8,11-13H2,1H3
• InChIKey: LBYMWWCSEBFFNC-UHFFFAOYSA-N
• XLogP: 17.43
• TPSA: 165.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1587.70
LogP ≤ 5	17.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(11-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(10,11c-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(8-ethenyl-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?

The IUPAC name of 2-(9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(11-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(10,11c-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(8-ethenyl-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol (CID 159306264) is 2-(9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(11-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(10,11c-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(8-ethenyl-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol.

What is the SMILES notation for 2-(9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(11-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(10,11c-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(8-ethenyl-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?

The canonical SMILES for 2-(9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(11-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(10,11c-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(8-ethenyl-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol is C=Cc1cc(C)cc2c3c(n(CC(O)c4ccncc4)c12)CCN1CCCC31.Cc1cc2c3c(n(CC(O)c4ccncc4)c2cc1Br)CCN1CCCC31.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CCN2CCCC12C.Cc1ccc2c(c1Br)c1c(n2CC(O)c2ccncc2)CCN2CCCC12.

What is the InChIKey of 2-(9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(11-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(10,11c-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(8-ethenyl-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?

The InChIKey is LBYMWWCSEBFFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O.C23H27N3O.2C22H24BrN3O/c1-3-17-13-16(2)14-19-23-20-5-4-11-26(20)12-8-21(23)27(24(17)19)15-22(28)18-6-9-25-10-7-18;1-16-4-5-19-18(14-16)22-20(8-13-25-12-3-9-23(22,25)2)26(19)15-21(27)17-6-10-24-11-7-17;1-14-11-16-20(12-17(14)23)26(13-21(27)15-4-7-24-8-5-15)19-6-10-25-9-2-3-18(25)22(16)19;1-14-4-5-17-21(22(14)23)20-16-3-2-11-25(16)12-8-18(20)26(17)13-19(27)15-6-9-24-10-7-15/h3,6-7,9-10,13-14,20,22,28H,1,4-5,8,11-12,15H2,2H3;4-7,10-11,14,21,27H,3,8-9,12-13,15H2,1-2H3;4-5,7-8,11-12,18,21,27H,2-3,6,9-10,13H2,1H3;4-7,9-10,16,19,27H,2-3,8,11-13H2,1H3.

What are the key properties of 2-(9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(11-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(10,11c-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(8-ethenyl-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol?

2-(9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(11-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(10,11c-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(8-ethenyl-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol has a molecular weight of 1587.70 g/mol, XLogP of 17.43, 13 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(11-bromo-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(10,11c-dimethyl-2,3,5,6-tetrahydro-1H-indolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;2-(8-ethenyl-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 159306264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).