11-carbazol-9-yl-4,18-diphenyl-8-(4-phenylphenyl)-14-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

C74H58BN3 — CID 171425342

About 11-carbazol-9-yl-4,18-diphenyl-8-(4-phenylphenyl)-14-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

11-carbazol-9-yl-4,18-diphenyl-8-(4-phenylphenyl)-14-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (PubChem CID 171425342) has the molecular formula C74H58BN3 and a molecular weight of 1000.11 g/mol. Its IUPAC name is 11-carbazol-9-yl-4,18-diphenyl-8-(4-phenylphenyl)-14-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 11-carbazol-9-yl-4,18-diphenyl-8-(4-phenylphenyl)-14-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
• PubChem CID: 171425342
• Molecular Formula: C74H58BN3
• Molecular Weight: 1000.11 g/mol
• Exact Mass: 999.47
• IUPAC Name: 11-carbazol-9-yl-4,18-diphenyl-8-(4-phenylphenyl)-14-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3ccc(N4c5ccc(-c6ccccc6)cc5B5c6cc(-c7ccccc7)ccc6N(c6ccc(-c7ccccc7)cc6)c6cc(-n7c8ccccc8c8ccccc87)cc4c65)cc3)ccc21
• InChI: InChI=1S/C74H58BN3/c1-73(2)42-43-74(3,4)63-44-54(32-39-62(63)73)53-30-37-58(38-31-53)77-69-41-34-56(51-22-12-7-13-23-51)46-65(69)75-64-45-55(50-20-10-6-11-21-50)33-40-68(64)76(57-35-28-52(29-36-57)49-18-8-5-9-19-49)70-47-59(48-71(77)72(70)75)78-66-26-16-14-24-60(66)61-25-15-17-27-67(61)78/h5-41,44-48H,42-43H2,1-4H3
• InChIKey: CILBJOQKCBURLL-UHFFFAOYSA-N
• XLogP: 17.88
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1000.11
LogP ≤ 5	17.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-carbazol-9-yl-4,18-diphenyl-8-(4-phenylphenyl)-14-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?

The IUPAC name of 11-carbazol-9-yl-4,18-diphenyl-8-(4-phenylphenyl)-14-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (CID 171425342) is 11-carbazol-9-yl-4,18-diphenyl-8-(4-phenylphenyl)-14-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.

What is the SMILES notation for 11-carbazol-9-yl-4,18-diphenyl-8-(4-phenylphenyl)-14-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?

The canonical SMILES for 11-carbazol-9-yl-4,18-diphenyl-8-(4-phenylphenyl)-14-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is CC1(C)CCC(C)(C)c2cc(-c3ccc(N4c5ccc(-c6ccccc6)cc5B5c6cc(-c7ccccc7)ccc6N(c6ccc(-c7ccccc7)cc6)c6cc(-n7c8ccccc8c8ccccc87)cc4c65)cc3)ccc21.

What is the InChIKey of 11-carbazol-9-yl-4,18-diphenyl-8-(4-phenylphenyl)-14-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?

The InChIKey is CILBJOQKCBURLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H58BN3/c1-73(2)42-43-74(3,4)63-44-54(32-39-62(63)73)53-30-37-58(38-31-53)77-69-41-34-56(51-22-12-7-13-23-51)46-65(69)75-64-45-55(50-20-10-6-11-21-50)33-40-68(64)76(57-35-28-52(29-36-57)49-18-8-5-9-19-49)70-47-59(48-71(77)72(70)75)78-66-26-16-14-24-60(66)61-25-15-17-27-67(61)78/h5-41,44-48H,42-43H2,1-4H3.

What are the key properties of 11-carbazol-9-yl-4,18-diphenyl-8-(4-phenylphenyl)-14-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?

11-carbazol-9-yl-4,18-diphenyl-8-(4-phenylphenyl)-14-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene has a molecular weight of 1000.11 g/mol, XLogP of 17.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 11-carbazol-9-yl-4,18-diphenyl-8-(4-phenylphenyl)-14-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is sourced from PubChem (CID 171425342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).