[11-tert-butyl-8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,6,16,18,19-pentadeuterio-5,17-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-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-nonaen-3-yl]-trimethylgermane

C93H83BGeN4 — CID 172530182

About [11-tert-butyl-8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,6,16,18,19-pentadeuterio-5,17-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-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-nonaen-3-yl]-trimethylgermane

[11-tert-butyl-8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,6,16,18,19-pentadeuterio-5,17-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-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-nonaen-3-yl]-trimethylgermane (PubChem CID 172530182) has the molecular formula C93H83BGeN4 and a molecular weight of 1361.27 g/mol. Its IUPAC name is [11-tert-butyl-8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,6,16,18,19-pentadeuterio-5,17-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-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-nonaen-3-yl]-trimethylgermane.

Molecular Properties

• Compound Name: [11-tert-butyl-8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,6,16,18,19-pentadeuterio-5,17-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-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-nonaen-3-yl]-trimethylgermane
• PubChem CID: 172530182
• Molecular Formula: C93H83BGeN4
• Molecular Weight: 1361.27 g/mol
• Exact Mass: 1361.72
• IUPAC Name: [11-tert-butyl-8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,6,16,18,19-pentadeuterio-5,17-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-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-nonaen-3-yl]-trimethylgermane
• SMILES: [2H]c1c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c([2H])c2c1B1c3c(cc(C(C)(C)C)cc3N(c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)c3c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)c([2H])c([Ge](C)(C)C)c31)N2c1c(-c2ccccc2)cc(C(C)(C)C)cc1-c1ccccc1
• InChI: InChI=1S/C93H83BGeN4/c1-91(2,3)64-51-73(60-33-17-13-18-34-60)89(74(52-64)61-35-19-14-20-36-61)98-83-58-67(96-79-45-29-25-41-69(79)70-42-26-30-46-80(70)96)49-50-77(83)94-87-78(95(10,11)12)57-68(97-81-47-31-27-43-71(81)72-44-28-32-48-82(72)97)59-86(87)99(85-56-66(93(7,8)9)55-84(98)88(85)94)90-75(62-37-21-15-22-38-62)53-65(92(4,5)6)54-76(90)63-39-23-16-24-40-63/h13-59H,1-12H3/i25D,26D,27D,28D,29D,30D,31D,32D,41D,42D,43D,44D,45D,46D,47D,48D,49D,50D,57D,58D,59D
• InChIKey: TZDJRSXRYLYVMN-AKBLWTIVSA-N
• XLogP: 23.07
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1361.27
LogP ≤ 5	23.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [11-tert-butyl-8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,6,16,18,19-pentadeuterio-5,17-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-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-nonaen-3-yl]-trimethylgermane?

The IUPAC name of [11-tert-butyl-8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,6,16,18,19-pentadeuterio-5,17-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-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-nonaen-3-yl]-trimethylgermane (CID 172530182) is [11-tert-butyl-8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,6,16,18,19-pentadeuterio-5,17-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-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-nonaen-3-yl]-trimethylgermane.

What is the SMILES notation for [11-tert-butyl-8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,6,16,18,19-pentadeuterio-5,17-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-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-nonaen-3-yl]-trimethylgermane?

The canonical SMILES for [11-tert-butyl-8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,6,16,18,19-pentadeuterio-5,17-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-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-nonaen-3-yl]-trimethylgermane is [2H]c1c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c([2H])c2c1B1c3c(cc(C(C)(C)C)cc3N(c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)c3c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)c([2H])c([Ge](C)(C)C)c31)N2c1c(-c2ccccc2)cc(C(C)(C)C)cc1-c1ccccc1.

What is the InChIKey of [11-tert-butyl-8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,6,16,18,19-pentadeuterio-5,17-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-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-nonaen-3-yl]-trimethylgermane?

The InChIKey is TZDJRSXRYLYVMN-AKBLWTIVSA-N. The full InChI is InChI=1S/C93H83BGeN4/c1-91(2,3)64-51-73(60-33-17-13-18-34-60)89(74(52-64)61-35-19-14-20-36-61)98-83-58-67(96-79-45-29-25-41-69(79)70-42-26-30-46-80(70)96)49-50-77(83)94-87-78(95(10,11)12)57-68(97-81-47-31-27-43-71(81)72-44-28-32-48-82(72)97)59-86(87)99(85-56-66(93(7,8)9)55-84(98)88(85)94)90-75(62-37-21-15-22-38-62)53-65(92(4,5)6)54-76(90)63-39-23-16-24-40-63/h13-59H,1-12H3/i25D,26D,27D,28D,29D,30D,31D,32D,41D,42D,43D,44D,45D,46D,47D,48D,49D,50D,57D,58D,59D.

What are the key properties of [11-tert-butyl-8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,6,16,18,19-pentadeuterio-5,17-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-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-nonaen-3-yl]-trimethylgermane?

[11-tert-butyl-8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,6,16,18,19-pentadeuterio-5,17-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-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-nonaen-3-yl]-trimethylgermane has a molecular weight of 1361.27 g/mol, XLogP of 23.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [11-tert-butyl-8,14-bis(4-tert-butyl-2,6-diphenylphenyl)-4,6,16,18,19-pentadeuterio-5,17-bis(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-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-nonaen-3-yl]-trimethylgermane is sourced from PubChem (CID 172530182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).