5,11,17-tritert-butyl-14,22-bis(4-tert-butylphenyl)-8-oxa-14,22-diaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

C50H59N2OSb — CID 140849353

IUPAC5,11,17-tritert-butyl-14,22-bis(4-tert-butylphenyl)-8-oxa-14,22-diaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
SMILESCC(C)(C)c1ccc(N2c3cc(C(C)(C)C)cc4c3[Sb]3c5c(cc(C(C)(C)C)cc5N(c5ccc(C(C)(C)C)cc5)c5cc(C(C)(C)C)cc2c53)O4)cc1
InChIInChI=1S/C50H59N2O.Sb/c1-46(2,3)33-16-20-38(21-17-33)51-40-24-35(48(7,8)9)25-41(30-40)52(39-22-18-34(19-23-39)47(4,5)6)43-27-37(50(13,14)15)29-45(32-43)53-44-28-36(49(10,11)12)26-42(51)31-44;/h16-29H,1-15H3;
InChIKeyDCVSLGYKKBWXLD-UHFFFAOYSA-N
MW825.79 g/mol
LogP12.36
Rot. Bonds2

About 5,11,17-tritert-butyl-14,22-bis(4-tert-butylphenyl)-8-oxa-14,22-diaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

5,11,17-tritert-butyl-14,22-bis(4-tert-butylphenyl)-8-oxa-14,22-diaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (PubChem CID 140849353) has the molecular formula C50H59N2OSb and a molecular weight of 825.79 g/mol. Its IUPAC name is 5,11,17-tritert-butyl-14,22-bis(4-tert-butylphenyl)-8-oxa-14,22-diaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

Compound Name5,11,17-tritert-butyl-14,22-bis(4-tert-butylphenyl)-8-oxa-14,22-diaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
PubChem CID140849353
Molecular FormulaC50H59N2OSb
Molecular Weight825.79 g/mol
Exact Mass824.37
IUPAC Name5,11,17-tritert-butyl-14,22-bis(4-tert-butylphenyl)-8-oxa-14,22-diaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
SMILESCC(C)(C)c1ccc(N2c3cc(C(C)(C)C)cc4c3[Sb]3c5c(cc(C(C)(C)C)cc5N(c5ccc(C(C)(C)C)cc5)c5cc(C(C)(C)C)cc2c53)O4)cc1
InChIInChI=1S/C50H59N2O.Sb/c1-46(2,3)33-16-20-38(21-17-33)51-40-24-35(48(7,8)9)25-41(30-40)52(39-22-18-34(19-23-39)47(4,5)6)43-27-37(50(13,14)15)29-45(32-43)53-44-28-36(49(10,11)12)26-42(51)31-44;/h16-29H,1-15H3;
InChIKeyDCVSLGYKKBWXLD-UHFFFAOYSA-N
XLogP12.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.79
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5,11,17-tritert-butyl-14,22-bis(4-tert-butylphenyl)-8-oxa-14,22-diaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,11,17-tritert-butyl-8,14,22-tris(4-tert-butylphenyl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 140848919
5',11',17'-tritert-butyl-14',22'-bis(4-tert-butylphenyl)-4,5,6,7-tetrachlorospiro[1,3,2λ5-benzodioxabismole-2,1'-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene]
CID 140849467
18-[4,6-bis[4,11-ditert-butyl-14-(4-tert-butylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-18-yl]-1,3,5-triazin-2-yl]-4,11-ditert-butyl-14-(4-tert-butylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 164840823
5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989
8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-methyl-11,21-dioxa-4,16,28-triaza-1-siladecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene
CID 140849327
8,13,19,24,31-pentatert-butyl-16-(4-tert-butylphenyl)-1-sulfanylidene-11,21-dioxa-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5(10),6,8,13,17(35),18,20(36),22(27),23,25,29(34),30,32-pentadecaene
CID 134317276
10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine
CID 168782831
14,22-bis(4-tert-butylphenyl)-1-methyl-5,11,17-triphenyl-8-oxa-14,22-diaza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 140848856
8,14,23,31-tetratert-butyl-11,17,20,34,36,38-hexakis(4-tert-butylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene;8,14,23,31-tetramethyl-11,17,20,34,36,38-hexakis(4-methylphenyl)-4,27-bis(sulfanylidene)-11,17,20,34,36,38-hexaza-4λ5,27λ5-diphosphaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5(10),6,8,12(37),13,15,19(35),21,23,25,28,30,32-pentadecaene
CID 158340532
3,7-ditert-butyl-10-[6-(3,7-ditert-butylphenoxazin-10-yl)phenanthro[9,10-b]pyrazin-11-yl]phenoxazine
CID 118912155
8,42-ditert-butyl-32-(4-tert-butylphenyl)-15,25,35-trimethyl-28-(2,4,6-trimethylphenyl)-12,18,22,38-tetraoxa-28,32-diaza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2,4(19),6(11),7,9,13(51),14,16,20,23,25,27(49),29,31(46),33(50),34,36,39(44),40,42,47-henicosaene
CID 162714270
9,15,31-tritert-butyl-28-(4-tert-butylphenyl)-12,22-bis(2,6-diphenylphenyl)-25-phenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29(34),30,32-pentadecaene
CID 164733073

Frequently Asked Questions

What is the IUPAC name of 5,11,17-tritert-butyl-14,22-bis(4-tert-butylphenyl)-8-oxa-14,22-diaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
The IUPAC name of 5,11,17-tritert-butyl-14,22-bis(4-tert-butylphenyl)-8-oxa-14,22-diaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (CID 140849353) is 5,11,17-tritert-butyl-14,22-bis(4-tert-butylphenyl)-8-oxa-14,22-diaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 5,11,17-tritert-butyl-14,22-bis(4-tert-butylphenyl)-8-oxa-14,22-diaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
The canonical SMILES for 5,11,17-tritert-butyl-14,22-bis(4-tert-butylphenyl)-8-oxa-14,22-diaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)cc4c3[Sb]3c5c(cc(C(C)(C)C)cc5N(c5ccc(C(C)(C)C)cc5)c5cc(C(C)(C)C)cc2c53)O4)cc1.
What is the InChIKey of 5,11,17-tritert-butyl-14,22-bis(4-tert-butylphenyl)-8-oxa-14,22-diaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
The InChIKey is DCVSLGYKKBWXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H59N2O.Sb/c1-46(2,3)33-16-20-38(21-17-33)51-40-24-35(48(7,8)9)25-41(30-40)52(39-22-18-34(19-23-39)47(4,5)6)43-27-37(50(13,14)15)29-45(32-43)53-44-28-36(49(10,11)12)26-42(51)31-44;/h16-29H,1-15H3;.
What are the key properties of 5,11,17-tritert-butyl-14,22-bis(4-tert-butylphenyl)-8-oxa-14,22-diaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
5,11,17-tritert-butyl-14,22-bis(4-tert-butylphenyl)-8-oxa-14,22-diaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 825.79 g/mol, XLogP of 12.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17-tritert-butyl-14,22-bis(4-tert-butylphenyl)-8-oxa-14,22-diaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 140849353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).