bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride

C45H121ClN6O4P62 — CID 159496766

About bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride

bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride (PubChem CID 159496766) has the molecular formula C45H121ClN6O4P62 and a molecular weight of 2766.34 g/mol. Its IUPAC name is bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride.

Molecular Properties

• Compound Name: bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride
• PubChem CID: 159496766
• Molecular Formula: C45H121ClN6O4P62
• Molecular Weight: 2766.34 g/mol
• Exact Mass: 2765.29
• IUPAC Name: bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCc2[nH]c3ccccc3c2C1.Cl.Cn1c2c(c3ccccc31)CN(C(=O)OC(C)(C)C)CC2.Cn1c2c(c3ccccc31)CNCC2.PP(P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
• InChI: InChI=1S/C17H22N2O2.C16H20N2O2.C12H14N2.ClH.H64P62/c1-17(2,3)21-16(20)19-10-9-15-13(11-19)12-7-5-6-8-14(12)18(15)4;1-16(2,3)20-15(19)18-9-8-14-12(10-18)11-6-4-5-7-13(11)17-14;1-14-11-5-3-2-4-9(11)10-8-13-7-6-12(10)14;;1-33(2)49(34(3)4)57(50(35(5)6)36(7)8)61(58(51(37(9)10)38(11)12)52(39(13)14)40(15)16)62(59(53(41(17)18)42(19)20)54(43(21)22)44(23)24)60(55(45(25)26)46(27)28)56(47(29)30)48(31)32/h5-8H,9-11H2,1-4H3;4-7,17H,8-10H2,1-3H3;2-5,13H,6-8H2,1H3;1H;1-32H2
• InChIKey: KNVQCXFJWADCOT-UHFFFAOYSA-N
• XLogP: 45.44
• TPSA: 96.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 29
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2766.34
LogP ≤ 5	45.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride?

The IUPAC name of bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride (CID 159496766) is bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride.

What is the SMILES notation for bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride?

The canonical SMILES for bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride is CC(C)(C)OC(=O)N1CCc2[nH]c3ccccc3c2C1.Cl.Cn1c2c(c3ccccc31)CN(C(=O)OC(C)(C)C)CC2.Cn1c2c(c3ccccc31)CNCC2.PP(P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.

What is the InChIKey of bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride?

The InChIKey is KNVQCXFJWADCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.C16H20N2O2.C12H14N2.ClH.H64P62/c1-17(2,3)21-16(20)19-10-9-15-13(11-19)12-7-5-6-8-14(12)18(15)4;1-16(2,3)20-15(19)18-9-8-14-12(10-18)11-6-4-5-7-13(11)17-14;1-14-11-5-3-2-4-9(11)10-8-13-7-6-12(10)14;;1-33(2)49(34(3)4)57(50(35(5)6)36(7)8)61(58(51(37(9)10)38(11)12)52(39(13)14)40(15)16)62(59(53(41(17)18)42(19)20)54(43(21)22)44(23)24)60(55(45(25)26)46(27)28)56(47(29)30)48(31)32/h5-8H,9-11H2,1-4H3;4-7,17H,8-10H2,1-3H3;2-5,13H,6-8H2,1H3;1H;1-32H2.

What are the key properties of bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride?

bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride has a molecular weight of 2766.34 g/mol, XLogP of 45.44, 29 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl-bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 159496766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).