bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 6-fluoro-5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;6-fluoro-5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;(2-fluorophenyl)methanamine;6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride

C85H147ClF5N10O11P47S2 — CID 157283278

IUPACbis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 6-fluoro-5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;6-fluoro-5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;(2-fluorophenyl)methanamine;6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCc2[nH]c3c(F)cccc3c2C1.Cc1ccc(S(=O)(=O)n2c3c(c4cccc(F)c42)CN(C(=O)OC(C)(C)C)CC3)cc1.Cc1ccc(S(=O)(=O)n2c3c(c4cccc(F)c42)CNCC3)cc1.Cl.Fc1cccc2c3c([nH]c12)CCNC3.NCc1ccccc1F.PPP(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
InChIInChI=1S/C23H25FN2O4S.C18H17FN2O2S.C16H19FN2O2.C11H11FN2.C10H17NO3.C7H8FN.ClH.H49P47/c1-15-8-10-16(11-9-15)31(28,29)26-20-12-13-25(22(27)30-23(2,3)4)14-18(20)17-6-5-7-19(24)21(17)26;1-12-5-7-13(8-6-12)24(22,23)21-17-9-10-20-11-15(17)14-3-2-4-16(19)18(14)21;1-16(2,3)21-15(20)19-8-7-13-11(9-19)10-5-4-6-12(17)14(10)18-13;12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;8-7-4-2-1-3-6(7)5-9;;1-25-37(24)43(36(22)23)46(42(34(18)19)35(20)21)47(44(38(26(2)3)27(4)5)39(28(6)7)29(8)9)45(40(30(10)11)31(12)13)41(32(14)15)33(16)17/h5-11H,12-14H2,1-4H3;2-8,20H,9-11H2,1H3;4-6,18H,7-9H2,1-3H3;1-3,13-14H,4-6H2;4-7H2,1-3H3;1-4H,5,9H2;1H;25H,1-24H2
InChIKeyFEHFHLCCFMGSHP-UHFFFAOYSA-N
MW3135.52 g/mol
LogP43.80
Rot. Bonds27

About bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 6-fluoro-5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;6-fluoro-5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;(2-fluorophenyl)methanamine;6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride

bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 6-fluoro-5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;6-fluoro-5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;(2-fluorophenyl)methanamine;6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride (PubChem CID 157283278) has the molecular formula C85H147ClF5N10O11P47S2 and a molecular weight of 3135.52 g/mol. Its IUPAC name is bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 6-fluoro-5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;6-fluoro-5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;(2-fluorophenyl)methanamine;6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride.

Molecular Properties

Compound Namebis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 6-fluoro-5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;6-fluoro-5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;(2-fluorophenyl)methanamine;6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
PubChem CID157283278
Molecular FormulaC85H147ClF5N10O11P47S2
Molecular Weight3135.52 g/mol
Exact Mass3133.80
IUPAC Namebis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 6-fluoro-5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;6-fluoro-5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;(2-fluorophenyl)methanamine;6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCc2[nH]c3c(F)cccc3c2C1.Cc1ccc(S(=O)(=O)n2c3c(c4cccc(F)c42)CN(C(=O)OC(C)(C)C)CC3)cc1.Cc1ccc(S(=O)(=O)n2c3c(c4cccc(F)c42)CNCC3)cc1.Cl.Fc1cccc2c3c([nH]c12)CCNC3.NCc1ccccc1F.PPP(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
InChIInChI=1S/C23H25FN2O4S.C18H17FN2O2S.C16H19FN2O2.C11H11FN2.C10H17NO3.C7H8FN.ClH.H49P47/c1-15-8-10-16(11-9-15)31(28,29)26-20-12-13-25(22(27)30-23(2,3)4)14-18(20)17-6-5-7-19(24)21(17)26;1-12-5-7-13(8-6-12)24(22,23)21-17-9-10-20-11-15(17)14-3-2-4-16(19)18(14)21;1-16(2,3)21-15(20)19-8-7-13-11(9-19)10-5-4-6-12(17)14(10)18-13;12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;8-7-4-2-1-3-6(7)5-9;;1-25-37(24)43(36(22)23)46(42(34(18)19)35(20)21)47(44(38(26(2)3)27(4)5)39(28(6)7)29(8)9)45(40(30(10)11)31(12)13)41(32(14)15)33(16)17/h5-11H,12-14H2,1-4H3;2-8,20H,9-11H2,1H3;4-6,18H,7-9H2,1-3H3;1-3,13-14H,4-6H2;4-7H2,1-3H3;1-4H,5,9H2;1H;25H,1-24H2
InChIKeyFEHFHLCCFMGSHP-UHFFFAOYSA-N
XLogP43.80
TPSA265.49 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003135.52
LogP ≤ 543.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 6-fluoro-5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;6-fluoro-5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;(2-fluorophenyl)methanamine;6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 6-fluoro-5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;6-fluoro-5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;(2-fluorophenyl)methanamine;6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
The IUPAC name of bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 6-fluoro-5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;6-fluoro-5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;(2-fluorophenyl)methanamine;6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride (CID 157283278) is bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 6-fluoro-5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;6-fluoro-5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;(2-fluorophenyl)methanamine;6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride.
What is the SMILES notation for bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 6-fluoro-5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;6-fluoro-5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;(2-fluorophenyl)methanamine;6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
The canonical SMILES for bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 6-fluoro-5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;6-fluoro-5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;(2-fluorophenyl)methanamine;6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride is CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCc2[nH]c3c(F)cccc3c2C1.Cc1ccc(S(=O)(=O)n2c3c(c4cccc(F)c42)CN(C(=O)OC(C)(C)C)CC3)cc1.Cc1ccc(S(=O)(=O)n2c3c(c4cccc(F)c42)CNCC3)cc1.Cl.Fc1cccc2c3c([nH]c12)CCNC3.NCc1ccccc1F.PPP(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]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 6-fluoro-5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;6-fluoro-5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;(2-fluorophenyl)methanamine;6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
The InChIKey is FEHFHLCCFMGSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O4S.C18H17FN2O2S.C16H19FN2O2.C11H11FN2.C10H17NO3.C7H8FN.ClH.H49P47/c1-15-8-10-16(11-9-15)31(28,29)26-20-12-13-25(22(27)30-23(2,3)4)14-18(20)17-6-5-7-19(24)21(17)26;1-12-5-7-13(8-6-12)24(22,23)21-17-9-10-20-11-15(17)14-3-2-4-16(19)18(14)21;1-16(2,3)21-15(20)19-8-7-13-11(9-19)10-5-4-6-12(17)14(10)18-13;12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;8-7-4-2-1-3-6(7)5-9;;1-25-37(24)43(36(22)23)46(42(34(18)19)35(20)21)47(44(38(26(2)3)27(4)5)39(28(6)7)29(8)9)45(40(30(10)11)31(12)13)41(32(14)15)33(16)17/h5-11H,12-14H2,1-4H3;2-8,20H,9-11H2,1H3;4-6,18H,7-9H2,1-3H3;1-3,13-14H,4-6H2;4-7H2,1-3H3;1-4H,5,9H2;1H;25H,1-24H2.
What are the key properties of bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 6-fluoro-5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;6-fluoro-5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;(2-fluorophenyl)methanamine;6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 6-fluoro-5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;6-fluoro-5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;(2-fluorophenyl)methanamine;6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride has a molecular weight of 3135.52 g/mol, XLogP of 43.80, 27 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;tert-butyl 6-fluoro-5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;6-fluoro-5-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;(2-fluorophenyl)methanamine;6-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 157283278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).