[29-[3,6-bis(trimethylsilyl)carbazol-9-yl]-32-(3,5-dipyridin-2-ylphenyl)-14,14-dimethyl-22-pyridin-2-yl-2,18-diaza-14-silanonacyclo[23.10.2.19,13.115,19.120,24.02,10.03,8.026,31.033,37]tetraconta-1(36),3(8),4,6,9,11,13(40),15(39),16,18,20(38),21,23,25,27,29,31,33(37),34-nonadecaen-6-yl]-trimethylsilane

C81H72N6Si4 — CID 59357295

About [29-[3,6-bis(trimethylsilyl)carbazol-9-yl]-32-(3,5-dipyridin-2-ylphenyl)-14,14-dimethyl-22-pyridin-2-yl-2,18-diaza-14-silanonacyclo[23.10.2.19,13.115,19.120,24.02,10.03,8.026,31.033,37]tetraconta-1(36),3(8),4,6,9,11,13(40),15(39),16,18,20(38),21,23,25,27,29,31,33(37),34-nonadecaen-6-yl]-trimethylsilane

[29-[3,6-bis(trimethylsilyl)carbazol-9-yl]-32-(3,5-dipyridin-2-ylphenyl)-14,14-dimethyl-22-pyridin-2-yl-2,18-diaza-14-silanonacyclo[23.10.2.19,13.115,19.120,24.02,10.03,8.026,31.033,37]tetraconta-1(36),3(8),4,6,9,11,13(40),15(39),16,18,20(38),21,23,25,27,29,31,33(37),34-nonadecaen-6-yl]-trimethylsilane (PubChem CID 59357295) has the molecular formula C81H72N6Si4 and a molecular weight of 1241.85 g/mol. Its IUPAC name is [29-[3,6-bis(trimethylsilyl)carbazol-9-yl]-32-(3,5-dipyridin-2-ylphenyl)-14,14-dimethyl-22-pyridin-2-yl-2,18-diaza-14-silanonacyclo[23.10.2.19,13.115,19.120,24.02,10.03,8.026,31.033,37]tetraconta-1(36),3(8),4,6,9,11,13(40),15(39),16,18,20(38),21,23,25,27,29,31,33(37),34-nonadecaen-6-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [29-[3,6-bis(trimethylsilyl)carbazol-9-yl]-32-(3,5-dipyridin-2-ylphenyl)-14,14-dimethyl-22-pyridin-2-yl-2,18-diaza-14-silanonacyclo[23.10.2.19,13.115,19.120,24.02,10.03,8.026,31.033,37]tetraconta-1(36),3(8),4,6,9,11,13(40),15(39),16,18,20(38),21,23,25,27,29,31,33(37),34-nonadecaen-6-yl]-trimethylsilane
• PubChem CID: 59357295
• Molecular Formula: C81H72N6Si4
• Molecular Weight: 1241.85 g/mol
• Exact Mass: 1240.49
• IUPAC Name: [29-[3,6-bis(trimethylsilyl)carbazol-9-yl]-32-(3,5-dipyridin-2-ylphenyl)-14,14-dimethyl-22-pyridin-2-yl-2,18-diaza-14-silanonacyclo[23.10.2.19,13.115,19.120,24.02,10.03,8.026,31.033,37]tetraconta-1(36),3(8),4,6,9,11,13(40),15(39),16,18,20(38),21,23,25,27,29,31,33(37),34-nonadecaen-6-yl]-trimethylsilane
• SMILES: C[Si](C)(C)c1ccc2c(c1)c1cc([Si](C)(C)C)ccc1n2-c1ccc2c3c4cc(ccc4c(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c2c1)-n1c2ccc([Si](C)(C)C)cc2c2cc(ccc21)[Si](C)(C)c1ccnc(c1)-c1cc(-c2ccccn2)cc-3c1
• InChI: InChI=1S/C81H72N6Si4/c1-88(2,3)59-23-29-76-66(46-59)67-47-60(89(4,5)6)24-30-77(67)86(76)57-21-28-65-70(44-57)80(55-40-51(72-18-12-15-34-82-72)38-52(41-55)73-19-13-16-35-83-73)64-27-22-58-45-71(64)81(65)56-42-53(74-20-14-17-36-84-74)39-54(43-56)75-50-63(33-37-85-75)91(10,11)62-26-32-79-69(49-62)68-48-61(90(7,8)9)25-31-78(68)87(58)79/h12-50H,1-11H3
• InChIKey: UNDHSFPDDLYNFW-UHFFFAOYSA-N
• XLogP: 18.54
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1241.85
LogP ≤ 5	18.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [29-[3,6-bis(trimethylsilyl)carbazol-9-yl]-32-(3,5-dipyridin-2-ylphenyl)-14,14-dimethyl-22-pyridin-2-yl-2,18-diaza-14-silanonacyclo[23.10.2.19,13.115,19.120,24.02,10.03,8.026,31.033,37]tetraconta-1(36),3(8),4,6,9,11,13(40),15(39),16,18,20(38),21,23,25,27,29,31,33(37),34-nonadecaen-6-yl]-trimethylsilane?

The IUPAC name of [29-[3,6-bis(trimethylsilyl)carbazol-9-yl]-32-(3,5-dipyridin-2-ylphenyl)-14,14-dimethyl-22-pyridin-2-yl-2,18-diaza-14-silanonacyclo[23.10.2.19,13.115,19.120,24.02,10.03,8.026,31.033,37]tetraconta-1(36),3(8),4,6,9,11,13(40),15(39),16,18,20(38),21,23,25,27,29,31,33(37),34-nonadecaen-6-yl]-trimethylsilane (CID 59357295) is [29-[3,6-bis(trimethylsilyl)carbazol-9-yl]-32-(3,5-dipyridin-2-ylphenyl)-14,14-dimethyl-22-pyridin-2-yl-2,18-diaza-14-silanonacyclo[23.10.2.19,13.115,19.120,24.02,10.03,8.026,31.033,37]tetraconta-1(36),3(8),4,6,9,11,13(40),15(39),16,18,20(38),21,23,25,27,29,31,33(37),34-nonadecaen-6-yl]-trimethylsilane.

What is the SMILES notation for [29-[3,6-bis(trimethylsilyl)carbazol-9-yl]-32-(3,5-dipyridin-2-ylphenyl)-14,14-dimethyl-22-pyridin-2-yl-2,18-diaza-14-silanonacyclo[23.10.2.19,13.115,19.120,24.02,10.03,8.026,31.033,37]tetraconta-1(36),3(8),4,6,9,11,13(40),15(39),16,18,20(38),21,23,25,27,29,31,33(37),34-nonadecaen-6-yl]-trimethylsilane?

The canonical SMILES for [29-[3,6-bis(trimethylsilyl)carbazol-9-yl]-32-(3,5-dipyridin-2-ylphenyl)-14,14-dimethyl-22-pyridin-2-yl-2,18-diaza-14-silanonacyclo[23.10.2.19,13.115,19.120,24.02,10.03,8.026,31.033,37]tetraconta-1(36),3(8),4,6,9,11,13(40),15(39),16,18,20(38),21,23,25,27,29,31,33(37),34-nonadecaen-6-yl]-trimethylsilane is C[Si](C)(C)c1ccc2c(c1)c1cc([Si](C)(C)C)ccc1n2-c1ccc2c3c4cc(ccc4c(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c2c1)-n1c2ccc([Si](C)(C)C)cc2c2cc(ccc21)[Si](C)(C)c1ccnc(c1)-c1cc(-c2ccccn2)cc-3c1.

What is the InChIKey of [29-[3,6-bis(trimethylsilyl)carbazol-9-yl]-32-(3,5-dipyridin-2-ylphenyl)-14,14-dimethyl-22-pyridin-2-yl-2,18-diaza-14-silanonacyclo[23.10.2.19,13.115,19.120,24.02,10.03,8.026,31.033,37]tetraconta-1(36),3(8),4,6,9,11,13(40),15(39),16,18,20(38),21,23,25,27,29,31,33(37),34-nonadecaen-6-yl]-trimethylsilane?

The InChIKey is UNDHSFPDDLYNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H72N6Si4/c1-88(2,3)59-23-29-76-66(46-59)67-47-60(89(4,5)6)24-30-77(67)86(76)57-21-28-65-70(44-57)80(55-40-51(72-18-12-15-34-82-72)38-52(41-55)73-19-13-16-35-83-73)64-27-22-58-45-71(64)81(65)56-42-53(74-20-14-17-36-84-74)39-54(43-56)75-50-63(33-37-85-75)91(10,11)62-26-32-79-69(49-62)68-48-61(90(7,8)9)25-31-78(68)87(58)79/h12-50H,1-11H3.

What are the key properties of [29-[3,6-bis(trimethylsilyl)carbazol-9-yl]-32-(3,5-dipyridin-2-ylphenyl)-14,14-dimethyl-22-pyridin-2-yl-2,18-diaza-14-silanonacyclo[23.10.2.19,13.115,19.120,24.02,10.03,8.026,31.033,37]tetraconta-1(36),3(8),4,6,9,11,13(40),15(39),16,18,20(38),21,23,25,27,29,31,33(37),34-nonadecaen-6-yl]-trimethylsilane?

[29-[3,6-bis(trimethylsilyl)carbazol-9-yl]-32-(3,5-dipyridin-2-ylphenyl)-14,14-dimethyl-22-pyridin-2-yl-2,18-diaza-14-silanonacyclo[23.10.2.19,13.115,19.120,24.02,10.03,8.026,31.033,37]tetraconta-1(36),3(8),4,6,9,11,13(40),15(39),16,18,20(38),21,23,25,27,29,31,33(37),34-nonadecaen-6-yl]-trimethylsilane has a molecular weight of 1241.85 g/mol, XLogP of 18.54, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [29-[3,6-bis(trimethylsilyl)carbazol-9-yl]-32-(3,5-dipyridin-2-ylphenyl)-14,14-dimethyl-22-pyridin-2-yl-2,18-diaza-14-silanonacyclo[23.10.2.19,13.115,19.120,24.02,10.03,8.026,31.033,37]tetraconta-1(36),3(8),4,6,9,11,13(40),15(39),16,18,20(38),21,23,25,27,29,31,33(37),34-nonadecaen-6-yl]-trimethylsilane is sourced from PubChem (CID 59357295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).