11-carbazol-9-yl-5-N,5-N,17-N,17-N-tetraphenyl-8,14-bis(3-triphenylsilylphenyl)-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-diamine

C102H74BN5Si2 — CID 168783357

About 11-carbazol-9-yl-5-N,5-N,17-N,17-N-tetraphenyl-8,14-bis(3-triphenylsilylphenyl)-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-diamine

11-carbazol-9-yl-5-N,5-N,17-N,17-N-tetraphenyl-8,14-bis(3-triphenylsilylphenyl)-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-diamine (PubChem CID 168783357) has the molecular formula C102H74BN5Si2 and a molecular weight of 1436.73 g/mol. Its IUPAC name is 11-carbazol-9-yl-5-N,5-N,17-N,17-N-tetraphenyl-8,14-bis(3-triphenylsilylphenyl)-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-diamine.

Molecular Properties

• Compound Name: 11-carbazol-9-yl-5-N,5-N,17-N,17-N-tetraphenyl-8,14-bis(3-triphenylsilylphenyl)-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-diamine
• PubChem CID: 168783357
• Molecular Formula: C102H74BN5Si2
• Molecular Weight: 1436.73 g/mol
• Exact Mass: 1435.56
• IUPAC Name: 11-carbazol-9-yl-5-N,5-N,17-N,17-N-tetraphenyl-8,14-bis(3-triphenylsilylphenyl)-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-diamine
• SMILES: c1ccc(N(c2ccccc2)c2ccc3c(c2)N(c2cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c2)c2cc(-n4c5ccccc5c5ccccc54)cc4c2B3c2ccc(N(c3ccccc3)c3ccccc3)cc2N4c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1
• InChI: InChI=1S/C102H74BN5Si2/c1-11-37-75(38-12-1)104(76-39-13-2-14-40-76)81-65-67-94-98(71-81)106(79-45-35-59-90(69-79)109(84-47-19-5-20-48-84,85-49-21-6-22-50-85)86-51-23-7-24-52-86)100-73-83(108-96-63-33-31-61-92(96)93-62-32-34-64-97(93)108)74-101-102(100)103(94)95-68-66-82(105(77-41-15-3-16-42-77)78-43-17-4-18-44-78)72-99(95)107(101)80-46-36-60-91(70-80)110(87-53-25-8-26-54-87,88-55-27-9-28-56-88)89-57-29-10-30-58-89/h1-74H
• InChIKey: XRKNTWWNWITZJC-UHFFFAOYSA-N
• XLogP: 18.56
• TPSA: 17.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1436.73
LogP ≤ 5	18.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-carbazol-9-yl-5-N,5-N,17-N,17-N-tetraphenyl-8,14-bis(3-triphenylsilylphenyl)-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-diamine?

The IUPAC name of 11-carbazol-9-yl-5-N,5-N,17-N,17-N-tetraphenyl-8,14-bis(3-triphenylsilylphenyl)-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-diamine (CID 168783357) is 11-carbazol-9-yl-5-N,5-N,17-N,17-N-tetraphenyl-8,14-bis(3-triphenylsilylphenyl)-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-diamine.

What is the SMILES notation for 11-carbazol-9-yl-5-N,5-N,17-N,17-N-tetraphenyl-8,14-bis(3-triphenylsilylphenyl)-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-diamine?

The canonical SMILES for 11-carbazol-9-yl-5-N,5-N,17-N,17-N-tetraphenyl-8,14-bis(3-triphenylsilylphenyl)-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-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)N(c2cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c2)c2cc(-n4c5ccccc5c5ccccc54)cc4c2B3c2ccc(N(c3ccccc3)c3ccccc3)cc2N4c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1.

What is the InChIKey of 11-carbazol-9-yl-5-N,5-N,17-N,17-N-tetraphenyl-8,14-bis(3-triphenylsilylphenyl)-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-diamine?

The InChIKey is XRKNTWWNWITZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H74BN5Si2/c1-11-37-75(38-12-1)104(76-39-13-2-14-40-76)81-65-67-94-98(71-81)106(79-45-35-59-90(69-79)109(84-47-19-5-20-48-84,85-49-21-6-22-50-85)86-51-23-7-24-52-86)100-73-83(108-96-63-33-31-61-92(96)93-62-32-34-64-97(93)108)74-101-102(100)103(94)95-68-66-82(105(77-41-15-3-16-42-77)78-43-17-4-18-44-78)72-99(95)107(101)80-46-36-60-91(70-80)110(87-53-25-8-26-54-87,88-55-27-9-28-56-88)89-57-29-10-30-58-89/h1-74H.

What are the key properties of 11-carbazol-9-yl-5-N,5-N,17-N,17-N-tetraphenyl-8,14-bis(3-triphenylsilylphenyl)-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-diamine?

11-carbazol-9-yl-5-N,5-N,17-N,17-N-tetraphenyl-8,14-bis(3-triphenylsilylphenyl)-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-diamine has a molecular weight of 1436.73 g/mol, XLogP of 18.56, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-carbazol-9-yl-5-N,5-N,17-N,17-N-tetraphenyl-8,14-bis(3-triphenylsilylphenyl)-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-diamine is sourced from PubChem (CID 168783357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).