11-tert-butyl-17-carbazol-9-yl-8-(2,6-diphenylphenyl)-4,14-di(triphenylen-2-yl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C89H61N3 — CID 168843330

About 11-tert-butyl-17-carbazol-9-yl-8-(2,6-diphenylphenyl)-4,14-di(triphenylen-2-yl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

11-tert-butyl-17-carbazol-9-yl-8-(2,6-diphenylphenyl)-4,14-di(triphenylen-2-yl)-8,14-diazapentacyclo[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 168843330) has the molecular formula C89H61N3 and a molecular weight of 1172.49 g/mol. Its IUPAC name is 11-tert-butyl-17-carbazol-9-yl-8-(2,6-diphenylphenyl)-4,14-di(triphenylen-2-yl)-8,14-diazapentacyclo[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: 11-tert-butyl-17-carbazol-9-yl-8-(2,6-diphenylphenyl)-4,14-di(triphenylen-2-yl)-8,14-diazapentacyclo[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: 168843330
• Molecular Formula: C89H61N3
• Molecular Weight: 1172.49 g/mol
• Exact Mass: 1171.49
• IUPAC Name: 11-tert-butyl-17-carbazol-9-yl-8-(2,6-diphenylphenyl)-4,14-di(triphenylen-2-yl)-8,14-diazapentacyclo[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)c1cc2c3c(c1)N(c1c(-c4ccccc4)cccc1-c1ccccc1)c1ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc1C3c1ccc(-n3c4ccccc4c4ccccc43)cc1N2c1ccc2c3ccccc3c3ccccc3c2c1
• InChI: InChI=1S/C89H61N3/c1-89(2,3)59-51-84-87-85(52-59)92(88-62(55-23-6-4-7-24-55)37-22-38-63(88)56-25-8-5-9-26-56)82-48-42-58(57-41-45-72-68-31-12-10-27-64(68)66-29-14-16-33-70(66)77(72)49-57)50-79(82)86(87)76-47-44-61(90-80-39-20-18-35-74(80)75-36-19-21-40-81(75)90)54-83(76)91(84)60-43-46-73-69-32-13-11-28-65(69)67-30-15-17-34-71(67)78(73)53-60/h4-54,86H,1-3H3
• InChIKey: QZSWAVAXHSARCE-UHFFFAOYSA-N
• XLogP: 24.75
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1172.49
LogP ≤ 5	24.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-17-carbazol-9-yl-8-(2,6-diphenylphenyl)-4,14-di(triphenylen-2-yl)-8,14-diazapentacyclo[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 11-tert-butyl-17-carbazol-9-yl-8-(2,6-diphenylphenyl)-4,14-di(triphenylen-2-yl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 168843330) is 11-tert-butyl-17-carbazol-9-yl-8-(2,6-diphenylphenyl)-4,14-di(triphenylen-2-yl)-8,14-diazapentacyclo[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 11-tert-butyl-17-carbazol-9-yl-8-(2,6-diphenylphenyl)-4,14-di(triphenylen-2-yl)-8,14-diazapentacyclo[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 11-tert-butyl-17-carbazol-9-yl-8-(2,6-diphenylphenyl)-4,14-di(triphenylen-2-yl)-8,14-diazapentacyclo[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)c1cc2c3c(c1)N(c1c(-c4ccccc4)cccc1-c1ccccc1)c1ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc1C3c1ccc(-n3c4ccccc4c4ccccc43)cc1N2c1ccc2c3ccccc3c3ccccc3c2c1.

What is the InChIKey of 11-tert-butyl-17-carbazol-9-yl-8-(2,6-diphenylphenyl)-4,14-di(triphenylen-2-yl)-8,14-diazapentacyclo[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 QZSWAVAXHSARCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H61N3/c1-89(2,3)59-51-84-87-85(52-59)92(88-62(55-23-6-4-7-24-55)37-22-38-63(88)56-25-8-5-9-26-56)82-48-42-58(57-41-45-72-68-31-12-10-27-64(68)66-29-14-16-33-70(66)77(72)49-57)50-79(82)86(87)76-47-44-61(90-80-39-20-18-35-74(80)75-36-19-21-40-81(75)90)54-83(76)91(84)60-43-46-73-69-32-13-11-28-65(69)67-30-15-17-34-71(67)78(73)53-60/h4-54,86H,1-3H3.

What are the key properties of 11-tert-butyl-17-carbazol-9-yl-8-(2,6-diphenylphenyl)-4,14-di(triphenylen-2-yl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

11-tert-butyl-17-carbazol-9-yl-8-(2,6-diphenylphenyl)-4,14-di(triphenylen-2-yl)-8,14-diazapentacyclo[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 1172.49 g/mol, XLogP of 24.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 11-tert-butyl-17-carbazol-9-yl-8-(2,6-diphenylphenyl)-4,14-di(triphenylen-2-yl)-8,14-diazapentacyclo[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 168843330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).