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

C57H50N2OSi — CID 140848856

IUPAC14,22-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
SMILESCC(C)(C)c1ccc(N2c3cc(-c4ccccc4)cc4c3[Si]3(C)c5c(cc(-c6ccccc6)cc5N(c5ccc(C(C)(C)C)cc5)c5cc(-c6ccccc6)cc2c53)O4)cc1
InChIInChI=1S/C57H50N2OSi/c1-56(2,3)43-23-27-45(28-24-43)58-47-31-40(37-17-11-8-12-18-37)32-48-53(47)61(7)54-49(58)33-41(38-19-13-9-14-20-38)35-51(54)60-52-36-42(39-21-15-10-16-22-39)34-50(55(52)61)59(48)46-29-25-44(26-30-46)57(4,5)6/h8-36H,1-7H3
InChIKeySUZOYSNUTTZRRW-UHFFFAOYSA-N
MW807.13 g/mol
LogP14.05
Rot. Bonds5

About 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

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 (PubChem CID 140848856) has the molecular formula C57H50N2OSi and a molecular weight of 807.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14,22-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
PubChem CID140848856
Molecular FormulaC57H50N2OSi
Molecular Weight807.13 g/mol
Exact Mass806.37
IUPAC Name14,22-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
SMILESCC(C)(C)c1ccc(N2c3cc(-c4ccccc4)cc4c3[Si]3(C)c5c(cc(-c6ccccc6)cc5N(c5ccc(C(C)(C)C)cc5)c5cc(-c6ccccc6)cc2c53)O4)cc1
InChIInChI=1S/C57H50N2OSi/c1-56(2,3)43-23-27-45(28-24-43)58-47-31-40(37-17-11-8-12-18-37)32-48-53(47)61(7)54-49(58)33-41(38-19-13-9-14-20-38)35-51(54)60-52-36-42(39-21-15-10-16-22-39)34-50(55(52)61)59(48)46-29-25-44(26-30-46)57(4,5)6/h8-36H,1-7H3
InChIKeySUZOYSNUTTZRRW-UHFFFAOYSA-N
XLogP14.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.13
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

9,31-ditert-butyl-15,18,25-tris(4-tert-butylphenyl)-22-(2,6-diphenylphenyl)-12,28-dioxa-18,22-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6(11),7,9,13,15,17(36),19,23(35),24,26,29(34),30,32-pentadecaene
CID 164733064
5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989
10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205
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
10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 165088278
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
15-tert-butyl-18-(4-tert-butyl-2,6-diphenylphenyl)-22-(4-tert-butylphenyl)-9,31-diphenyl-25-(9-phenylcarbazol-3-yl)-12,28-dioxa-18,22-diaza-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),7,9,13,15,17(36),20,23(35),24,26,29(34),30,32-pentadecaene
CID 169042304
8-(4-tert-butylphenyl)-5,21,24-triphenyl-5,21-diaza-1,17-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene
CID 165377740
5-(4-tert-butylphenyl)-10-(2,6-diphenylphenyl)phenazine
CID 166052792
5,11,14,22-tetraphenyl-8-oxa-14,22-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140849562
7,27-bis(4-tert-butylphenyl)-4,10-diphenyl-1,7,27-triaza-14,20-diboranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2,4,6(35),8(13),9,11,15,17,19(33),21,23,25,28(34),29,31-pentadecaene
CID 169068772
8,14-bis(4-tert-butylphenyl)-11-(4,6-diphenyl-2-pyridinyl)-4,18-diphenyl-8,14-diaza-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 164941334

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(N2c3cc(-c4ccccc4)cc4c3[Si]3(C)c5c(cc(-c6ccccc6)cc5N(c5ccc(C(C)(C)C)cc5)c5cc(-c6ccccc6)cc2c53)O4)cc1.
What is the InChIKey of 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?
The InChIKey is SUZOYSNUTTZRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H50N2OSi/c1-56(2,3)43-23-27-45(28-24-43)58-47-31-40(37-17-11-8-12-18-37)32-48-53(47)61(7)54-49(58)33-41(38-19-13-9-14-20-38)35-51(54)60-52-36-42(39-21-15-10-16-22-39)34-50(55(52)61)59(48)46-29-25-44(26-30-46)57(4,5)6/h8-36H,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 807.13 g/mol, XLogP of 14.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140848856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).