5,10-di(carbazol-9-yl)-13-(6-phenyl-3H-cyclopenta[b]indol-4-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

C59H37BN4 — CID 174065086

About 5,10-di(carbazol-9-yl)-13-(6-phenyl-3H-cyclopenta[b]indol-4-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

5,10-di(carbazol-9-yl)-13-(6-phenyl-3H-cyclopenta[b]indol-4-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (PubChem CID 174065086) has the molecular formula C59H37BN4 and a molecular weight of 812.79 g/mol. Its IUPAC name is 5,10-di(carbazol-9-yl)-13-(6-phenyl-3H-cyclopenta[b]indol-4-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.

Molecular Properties

• Compound Name: 5,10-di(carbazol-9-yl)-13-(6-phenyl-3H-cyclopenta[b]indol-4-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
• PubChem CID: 174065086
• Molecular Formula: C59H37BN4
• Molecular Weight: 812.79 g/mol
• Exact Mass: 812.31
• IUPAC Name: 5,10-di(carbazol-9-yl)-13-(6-phenyl-3H-cyclopenta[b]indol-4-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
• SMILES: C1=Cc2c(n(B3c4ccccc4-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)cc3c54)c3cc(-c4ccccc4)ccc23)C1
• InChI: InChI=1S/C59H37BN4/c1-2-15-37(16-3-1)38-29-31-46-45-21-14-28-56(45)64(58(46)33-38)60-49-22-8-13-27-57(49)63-55-32-30-39(61-51-23-9-4-17-41(51)42-18-5-10-24-52(42)61)34-47(55)48-35-40(36-50(60)59(48)63)62-53-25-11-6-19-43(53)44-20-7-12-26-54(44)62/h1-27,29-36H,28H2
• InChIKey: WIJNUOZCUXELKF-UHFFFAOYSA-N
• XLogP: 13.14
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.79
LogP ≤ 5	13.14
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 5,10-di(carbazol-9-yl)-13-(6-phenyl-3H-cyclopenta[b]indol-4-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?

The IUPAC name of 5,10-di(carbazol-9-yl)-13-(6-phenyl-3H-cyclopenta[b]indol-4-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (CID 174065086) is 5,10-di(carbazol-9-yl)-13-(6-phenyl-3H-cyclopenta[b]indol-4-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.

What is the SMILES notation for 5,10-di(carbazol-9-yl)-13-(6-phenyl-3H-cyclopenta[b]indol-4-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?

The canonical SMILES for 5,10-di(carbazol-9-yl)-13-(6-phenyl-3H-cyclopenta[b]indol-4-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is C1=Cc2c(n(B3c4ccccc4-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)cc3c54)c3cc(-c4ccccc4)ccc23)C1.

What is the InChIKey of 5,10-di(carbazol-9-yl)-13-(6-phenyl-3H-cyclopenta[b]indol-4-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?

The InChIKey is WIJNUOZCUXELKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37BN4/c1-2-15-37(16-3-1)38-29-31-46-45-21-14-28-56(45)64(58(46)33-38)60-49-22-8-13-27-57(49)63-55-32-30-39(61-51-23-9-4-17-41(51)42-18-5-10-24-52(42)61)34-47(55)48-35-40(36-50(60)59(48)63)62-53-25-11-6-19-43(53)44-20-7-12-26-54(44)62/h1-27,29-36H,28H2.

What are the key properties of 5,10-di(carbazol-9-yl)-13-(6-phenyl-3H-cyclopenta[b]indol-4-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?

5,10-di(carbazol-9-yl)-13-(6-phenyl-3H-cyclopenta[b]indol-4-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene has a molecular weight of 812.79 g/mol, XLogP of 13.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10-di(carbazol-9-yl)-13-(6-phenyl-3H-cyclopenta[b]indol-4-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 174065086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).