1-tert-butyl-5,11,17-tris(2,7-ditert-butylcarbazol-9-yl)-8,14-diphenyl-8,14-diaza-1-germapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C94H99GeN5 — CID 176590187

About 1-tert-butyl-5,11,17-tris(2,7-ditert-butylcarbazol-9-yl)-8,14-diphenyl-8,14-diaza-1-germapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

1-tert-butyl-5,11,17-tris(2,7-ditert-butylcarbazol-9-yl)-8,14-diphenyl-8,14-diaza-1-germapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 176590187) has the molecular formula C94H99GeN5 and a molecular weight of 1371.47 g/mol. Its IUPAC name is 1-tert-butyl-5,11,17-tris(2,7-ditert-butylcarbazol-9-yl)-8,14-diphenyl-8,14-diaza-1-germapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 1-tert-butyl-5,11,17-tris(2,7-ditert-butylcarbazol-9-yl)-8,14-diphenyl-8,14-diaza-1-germapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• PubChem CID: 176590187
• Molecular Formula: C94H99GeN5
• Molecular Weight: 1371.47 g/mol
• Exact Mass: 1371.71
• IUPAC Name: 1-tert-butyl-5,11,17-tris(2,7-ditert-butylcarbazol-9-yl)-8,14-diphenyl-8,14-diaza-1-germapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• SMILES: CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3ccc4c(c3)N(c3ccccc3)c3cc(-n5c6cc(C(C)(C)C)ccc6c6ccc(C(C)(C)C)cc65)cc5c3[Ge]4(C(C)(C)C)c3ccc(-n4c6cc(C(C)(C)C)ccc6c6ccc(C(C)(C)C)cc64)cc3N5c3ccccc3)c2c1
• InChI: InChI=1S/C94H99GeN5/c1-88(2,3)58-32-40-69-70-41-33-59(89(4,5)6)49-78(70)98(77(69)48-58)66-38-46-75-83(54-66)96(64-28-24-22-25-29-64)85-56-68(100-81-52-62(92(13,14)15)36-44-73(81)74-45-37-63(53-82(74)100)93(16,17)18)57-86-87(85)95(75,94(19,20)21)76-47-39-67(55-84(76)97(86)65-30-26-23-27-31-65)99-79-50-60(90(7,8)9)34-42-71(79)72-43-35-61(51-80(72)99)91(10,11)12/h22-57H,1-21H3
• InChIKey: WZWVGMJEHYECFR-UHFFFAOYSA-N
• XLogP: 24.60
• TPSA: 21.27 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1371.47
LogP ≤ 5	24.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5,11,17-tris(2,7-ditert-butylcarbazol-9-yl)-8,14-diphenyl-8,14-diaza-1-germapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The IUPAC name of 1-tert-butyl-5,11,17-tris(2,7-ditert-butylcarbazol-9-yl)-8,14-diphenyl-8,14-diaza-1-germapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 176590187) is 1-tert-butyl-5,11,17-tris(2,7-ditert-butylcarbazol-9-yl)-8,14-diphenyl-8,14-diaza-1-germapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

What is the SMILES notation for 1-tert-butyl-5,11,17-tris(2,7-ditert-butylcarbazol-9-yl)-8,14-diphenyl-8,14-diaza-1-germapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The canonical SMILES for 1-tert-butyl-5,11,17-tris(2,7-ditert-butylcarbazol-9-yl)-8,14-diphenyl-8,14-diaza-1-germapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3ccc4c(c3)N(c3ccccc3)c3cc(-n5c6cc(C(C)(C)C)ccc6c6ccc(C(C)(C)C)cc65)cc5c3[Ge]4(C(C)(C)C)c3ccc(-n4c6cc(C(C)(C)C)ccc6c6ccc(C(C)(C)C)cc64)cc3N5c3ccccc3)c2c1.

What is the InChIKey of 1-tert-butyl-5,11,17-tris(2,7-ditert-butylcarbazol-9-yl)-8,14-diphenyl-8,14-diaza-1-germapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The InChIKey is WZWVGMJEHYECFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H99GeN5/c1-88(2,3)58-32-40-69-70-41-33-59(89(4,5)6)49-78(70)98(77(69)48-58)66-38-46-75-83(54-66)96(64-28-24-22-25-29-64)85-56-68(100-81-52-62(92(13,14)15)36-44-73(81)74-45-37-63(53-82(74)100)93(16,17)18)57-86-87(85)95(75,94(19,20)21)76-47-39-67(55-84(76)97(86)65-30-26-23-27-31-65)99-79-50-60(90(7,8)9)34-42-71(79)72-43-35-61(51-80(72)99)91(10,11)12/h22-57H,1-21H3.

What are the key properties of 1-tert-butyl-5,11,17-tris(2,7-ditert-butylcarbazol-9-yl)-8,14-diphenyl-8,14-diaza-1-germapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

1-tert-butyl-5,11,17-tris(2,7-ditert-butylcarbazol-9-yl)-8,14-diphenyl-8,14-diaza-1-germapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 1371.47 g/mol, XLogP of 24.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-5,11,17-tris(2,7-ditert-butylcarbazol-9-yl)-8,14-diphenyl-8,14-diaza-1-germapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 176590187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).