11-[1,8-bis[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-9-yl]-5,17-ditert-butyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione

C92H90N2O2 — CID 170546560

About 11-[1,8-bis[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-9-yl]-5,17-ditert-butyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione

11-[1,8-bis[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-9-yl]-5,17-ditert-butyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione (PubChem CID 170546560) has the molecular formula C92H90N2O2 and a molecular weight of 1255.74 g/mol. Its IUPAC name is 11-[1,8-bis[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-9-yl]-5,17-ditert-butyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione.

Molecular Properties

• Compound Name: 11-[1,8-bis[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-9-yl]-5,17-ditert-butyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione
• PubChem CID: 170546560
• Molecular Formula: C92H90N2O2
• Molecular Weight: 1255.74 g/mol
• Exact Mass: 1254.70
• IUPAC Name: 11-[1,8-bis[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-9-yl]-5,17-ditert-butyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione
• SMILES: CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cccc4c5cccc(-c6cc(-c7ccc(C(C)(C)C)cc7)cc(-c7ccc(C(C)(C)C)cc7)c6)c5n(-c5cc6c(=O)c7cc(C(C)(C)C)ccc7n7c8ccc(C(C)(C)C)cc8c(=O)c(c5)c67)c34)c2)cc1
• InChI: InChI=1S/C92H90N2O2/c1-87(2,3)65-33-25-55(26-34-65)59-45-60(56-27-35-66(36-28-56)88(4,5)6)48-63(47-59)72-21-19-23-74-75-24-20-22-73(64-49-61(57-29-37-67(38-30-57)89(7,8)9)46-62(50-64)58-31-39-68(40-32-58)90(10,11)12)83(75)93(82(72)74)71-53-78-84-79(54-71)86(96)77-52-70(92(16,17)18)42-44-81(77)94(84)80-43-41-69(91(13,14)15)51-76(80)85(78)95/h19-54H,1-18H3
• InChIKey: HDXCHWPGLNLESV-UHFFFAOYSA-N
• XLogP: 24.44
• TPSA: 43.48 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1255.74
LogP ≤ 5	24.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-[1,8-bis[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-9-yl]-5,17-ditert-butyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione?

The IUPAC name of 11-[1,8-bis[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-9-yl]-5,17-ditert-butyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione (CID 170546560) is 11-[1,8-bis[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-9-yl]-5,17-ditert-butyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione.

What is the SMILES notation for 11-[1,8-bis[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-9-yl]-5,17-ditert-butyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione?

The canonical SMILES for 11-[1,8-bis[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-9-yl]-5,17-ditert-butyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione is CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cccc4c5cccc(-c6cc(-c7ccc(C(C)(C)C)cc7)cc(-c7ccc(C(C)(C)C)cc7)c6)c5n(-c5cc6c(=O)c7cc(C(C)(C)C)ccc7n7c8ccc(C(C)(C)C)cc8c(=O)c(c5)c67)c34)c2)cc1.

What is the InChIKey of 11-[1,8-bis[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-9-yl]-5,17-ditert-butyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione?

The InChIKey is HDXCHWPGLNLESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H90N2O2/c1-87(2,3)65-33-25-55(26-34-65)59-45-60(56-27-35-66(36-28-56)88(4,5)6)48-63(47-59)72-21-19-23-74-75-24-20-22-73(64-49-61(57-29-37-67(38-30-57)89(7,8)9)46-62(50-64)58-31-39-68(40-32-58)90(10,11)12)83(75)93(82(72)74)71-53-78-84-79(54-71)86(96)77-52-70(92(16,17)18)42-44-81(77)94(84)80-43-41-69(91(13,14)15)51-76(80)85(78)95/h19-54H,1-18H3.

What are the key properties of 11-[1,8-bis[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-9-yl]-5,17-ditert-butyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione?

11-[1,8-bis[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-9-yl]-5,17-ditert-butyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione has a molecular weight of 1255.74 g/mol, XLogP of 24.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[1,8-bis[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-9-yl]-5,17-ditert-butyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione is sourced from PubChem (CID 170546560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).