8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-yl)-11-(9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaenyl)-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

C106H71BN4 — CID 174089807

About 8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-yl)-11-(9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaenyl)-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

8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-yl)-11-(9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaenyl)-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 174089807) has the molecular formula C106H71BN4 and a molecular weight of 1411.57 g/mol. Its IUPAC name is 8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-yl)-11-(9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaenyl)-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: 8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-yl)-11-(9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaenyl)-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: 174089807
• Molecular Formula: C106H71BN4
• Molecular Weight: 1411.57 g/mol
• Exact Mass: 1410.58
• IUPAC Name: 8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-yl)-11-(9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaenyl)-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: C1=CC(c2cc3c4c(c2)N(c2c(-c5ccccc5)cccc2-c2ccccc2)c2cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc2B4c2ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc2N3c2c(-c3ccccc3)cccc2-c2ccccc2)Cc2ccccc2-c2ccccc21
• InChI: InChI=1S/C106H71BN4/c1-7-29-70(30-8-1)86-47-27-48-87(71-31-9-2-10-32-71)105(86)110-100-66-78(76-57-61-98-92(64-76)90-45-23-25-51-96(90)108(98)82-39-15-5-16-40-82)55-59-94(100)107-95-60-56-79(77-58-62-99-93(65-77)91-46-24-26-52-97(91)109(99)83-41-17-6-18-42-83)67-101(95)111(106-88(72-33-11-3-12-34-72)49-28-50-89(106)73-35-13-4-14-36-73)103-69-81(68-102(110)104(103)107)75-54-53-74-37-19-21-43-84(74)85-44-22-20-38-80(85)63-75/h1-62,64-69,75H,63H2
• InChIKey: DPLLVEKFUFTPGC-UHFFFAOYSA-N
• XLogP: 25.99
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1411.57
LogP ≤ 5	25.99
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 8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-yl)-11-(9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaenyl)-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 8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-yl)-11-(9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaenyl)-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 174089807) is 8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-yl)-11-(9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaenyl)-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 8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-yl)-11-(9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaenyl)-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 8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-yl)-11-(9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaenyl)-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 C1=CC(c2cc3c4c(c2)N(c2c(-c5ccccc5)cccc2-c2ccccc2)c2cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc2B4c2ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc2N3c2c(-c3ccccc3)cccc2-c2ccccc2)Cc2ccccc2-c2ccccc21.

What is the InChIKey of 8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-yl)-11-(9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaenyl)-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 DPLLVEKFUFTPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H71BN4/c1-7-29-70(30-8-1)86-47-27-48-87(71-31-9-2-10-32-71)105(86)110-100-66-78(76-57-61-98-92(64-76)90-45-23-25-51-96(90)108(98)82-39-15-5-16-40-82)55-59-94(100)107-95-60-56-79(77-58-62-99-93(65-77)91-46-24-26-52-97(91)109(99)83-41-17-6-18-42-83)67-101(95)111(106-88(72-33-11-3-12-34-72)49-28-50-89(106)73-35-13-4-14-36-73)103-69-81(68-102(110)104(103)107)75-54-53-74-37-19-21-43-84(74)85-44-22-20-38-80(85)63-75/h1-62,64-69,75H,63H2.

What are the key properties of 8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-yl)-11-(9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaenyl)-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?

8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-yl)-11-(9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaenyl)-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 1411.57 g/mol, XLogP of 25.99, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-yl)-11-(9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaenyl)-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 174089807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).