11-(4a,9a-dihydrocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-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

C102H68BN5 — CID 174089262

About 11-(4a,9a-dihydrocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-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

11-(4a,9a-dihydrocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-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 174089262) has the molecular formula C102H68BN5 and a molecular weight of 1374.51 g/mol. Its IUPAC name is 11-(4a,9a-dihydrocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-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: 11-(4a,9a-dihydrocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-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: 174089262
• Molecular Formula: C102H68BN5
• Molecular Weight: 1374.51 g/mol
• Exact Mass: 1373.56
• IUPAC Name: 11-(4a,9a-dihydrocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-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: C1=CC2c3ccccc3N(c3cc4c5c(c3)N(c3c(-c6ccccc6)cccc3-c3ccccc3)c3cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc3B5c3ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc3N4c3c(-c4ccccc4)cccc3-c3ccccc3)C2C=C1
• InChI: InChI=1S/C102H68BN5/c1-7-29-67(30-8-1)78-45-27-46-79(68-31-9-2-10-32-68)101(78)107-96-63-73(71-55-59-94-86(61-71)84-43-21-25-51-92(84)104(94)75-37-15-5-16-38-75)53-57-88(96)103-89-58-54-74(72-56-60-95-87(62-72)85-44-22-26-52-93(85)105(95)76-39-17-6-18-40-76)64-97(89)108(102-80(69-33-11-3-12-34-69)47-28-48-81(102)70-35-13-4-14-36-70)99-66-77(65-98(107)100(99)103)106-90-49-23-19-41-82(90)83-42-20-24-50-91(83)106/h1-66,82,90H
• InChIKey: FPNZTINGYXNPIH-UHFFFAOYSA-N
• XLogP: 24.70
• TPSA: 19.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1374.51
LogP ≤ 5	24.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-(4a,9a-dihydrocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-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 11-(4a,9a-dihydrocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-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 174089262) is 11-(4a,9a-dihydrocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-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 11-(4a,9a-dihydrocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-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 11-(4a,9a-dihydrocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-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 C1=CC2c3ccccc3N(c3cc4c5c(c3)N(c3c(-c6ccccc6)cccc3-c3ccccc3)c3cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc3B5c3ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc3N4c3c(-c4ccccc4)cccc3-c3ccccc3)C2C=C1.

What is the InChIKey of 11-(4a,9a-dihydrocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-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 FPNZTINGYXNPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H68BN5/c1-7-29-67(30-8-1)78-45-27-46-79(68-31-9-2-10-32-68)101(78)107-96-63-73(71-55-59-94-86(61-71)84-43-21-25-51-92(84)104(94)75-37-15-5-16-38-75)53-57-88(96)103-89-58-54-74(72-56-60-95-87(62-72)85-44-22-26-52-93(85)105(95)76-39-17-6-18-40-76)64-97(89)108(102-80(69-33-11-3-12-34-69)47-28-48-81(102)70-35-13-4-14-36-70)99-66-77(65-98(107)100(99)103)106-90-49-23-19-41-82(90)83-42-20-24-50-91(83)106/h1-66,82,90H.

What are the key properties of 11-(4a,9a-dihydrocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-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?

11-(4a,9a-dihydrocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-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 1374.51 g/mol, XLogP of 24.70, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(4a,9a-dihydrocarbazol-9-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(9-phenylcarbazol-3-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 174089262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).