5,17-di(carbazol-9-yl)-8-[4-methyl-2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-14-[2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-11-propan-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C106H75BN4 — CID 177093224

About 5,17-di(carbazol-9-yl)-8-[4-methyl-2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-14-[2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-11-propan-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

5,17-di(carbazol-9-yl)-8-[4-methyl-2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-14-[2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-11-propan-2-yl-8,14-diaza-1-borapentacyclo[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 177093224) has the molecular formula C106H75BN4 and a molecular weight of 1415.61 g/mol. Its IUPAC name is 5,17-di(carbazol-9-yl)-8-[4-methyl-2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-14-[2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-11-propan-2-yl-8,14-diaza-1-borapentacyclo[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: 5,17-di(carbazol-9-yl)-8-[4-methyl-2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-14-[2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-11-propan-2-yl-8,14-diaza-1-borapentacyclo[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: 177093224
• Molecular Formula: C106H75BN4
• Molecular Weight: 1415.61 g/mol
• Exact Mass: 1414.61
• IUPAC Name: 5,17-di(carbazol-9-yl)-8-[4-methyl-2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-14-[2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-11-propan-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• SMILES: Cc1cc(-c2ccccc2)c(N2c3cc(-n4c5ccccc5c5ccccc54)ccc3B3c4ccc(-n5c6ccccc6c6ccccc65)cc4N(c4c(-c5ccccc5)cccc4-c4cccc(-c5cccc(-c6ccccc6)c5)c4)c4cc(C(C)C)cc2c43)c(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)c1
• InChI: InChI=1S/C106H75BN4/c1-69(2)83-65-102-104-103(66-83)111(106-92(74-35-14-7-15-36-74)59-70(3)60-93(106)82-44-27-42-80(64-82)78-40-25-38-76(62-78)72-31-10-5-11-32-72)101-68-85(109-98-53-22-18-47-90(98)91-48-19-23-54-99(91)109)56-58-95(101)107(104)94-57-55-84(108-96-51-20-16-45-88(96)89-46-17-21-52-97(89)108)67-100(94)110(102)105-86(73-33-12-6-13-34-73)49-28-50-87(105)81-43-26-41-79(63-81)77-39-24-37-75(61-77)71-29-8-4-9-30-71/h4-69H,1-3H3
• InChIKey: JKMDRVAMVUCXOK-UHFFFAOYSA-N
• XLogP: 26.73
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1415.61
LogP ≤ 5	26.73
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 5,17-di(carbazol-9-yl)-8-[4-methyl-2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-14-[2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-11-propan-2-yl-8,14-diaza-1-borapentacyclo[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 5,17-di(carbazol-9-yl)-8-[4-methyl-2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-14-[2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-11-propan-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 177093224) is 5,17-di(carbazol-9-yl)-8-[4-methyl-2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-14-[2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-11-propan-2-yl-8,14-diaza-1-borapentacyclo[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 5,17-di(carbazol-9-yl)-8-[4-methyl-2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-14-[2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-11-propan-2-yl-8,14-diaza-1-borapentacyclo[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 5,17-di(carbazol-9-yl)-8-[4-methyl-2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-14-[2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-11-propan-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is Cc1cc(-c2ccccc2)c(N2c3cc(-n4c5ccccc5c5ccccc54)ccc3B3c4ccc(-n5c6ccccc6c6ccccc65)cc4N(c4c(-c5ccccc5)cccc4-c4cccc(-c5cccc(-c6ccccc6)c5)c4)c4cc(C(C)C)cc2c43)c(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)c1.

What is the InChIKey of 5,17-di(carbazol-9-yl)-8-[4-methyl-2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-14-[2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-11-propan-2-yl-8,14-diaza-1-borapentacyclo[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 JKMDRVAMVUCXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H75BN4/c1-69(2)83-65-102-104-103(66-83)111(106-92(74-35-14-7-15-36-74)59-70(3)60-93(106)82-44-27-42-80(64-82)78-40-25-38-76(62-78)72-31-10-5-11-32-72)101-68-85(109-98-53-22-18-47-90(98)91-48-19-23-54-99(91)109)56-58-95(101)107(104)94-57-55-84(108-96-51-20-16-45-88(96)89-46-17-21-52-97(89)108)67-100(94)110(102)105-86(73-33-12-6-13-34-73)49-28-50-87(105)81-43-26-41-79(63-81)77-39-24-37-75(61-77)71-29-8-4-9-30-71/h4-69H,1-3H3.

What are the key properties of 5,17-di(carbazol-9-yl)-8-[4-methyl-2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-14-[2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-11-propan-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

5,17-di(carbazol-9-yl)-8-[4-methyl-2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-14-[2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-11-propan-2-yl-8,14-diaza-1-borapentacyclo[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 1415.61 g/mol, XLogP of 26.73, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,17-di(carbazol-9-yl)-8-[4-methyl-2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-14-[2-phenyl-6-[3-(3-phenylphenyl)phenyl]phenyl]-11-propan-2-yl-8,14-diaza-1-borapentacyclo[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 177093224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).