10-[11-carbazol-9-yl-8,14-bis(3,5-ditert-butylphenyl)-17-phenoxazin-10-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-nonaen-5-yl]phenoxazine

C82H74BN5O2 — CID 170669479

About 10-[11-carbazol-9-yl-8,14-bis(3,5-ditert-butylphenyl)-17-phenoxazin-10-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-nonaen-5-yl]phenoxazine

10-[11-carbazol-9-yl-8,14-bis(3,5-ditert-butylphenyl)-17-phenoxazin-10-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-nonaen-5-yl]phenoxazine (PubChem CID 170669479) has the molecular formula C82H74BN5O2 and a molecular weight of 1172.34 g/mol. Its IUPAC name is 10-[11-carbazol-9-yl-8,14-bis(3,5-ditert-butylphenyl)-17-phenoxazin-10-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-nonaen-5-yl]phenoxazine.

Molecular Properties

• Compound Name: 10-[11-carbazol-9-yl-8,14-bis(3,5-ditert-butylphenyl)-17-phenoxazin-10-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-nonaen-5-yl]phenoxazine
• PubChem CID: 170669479
• Molecular Formula: C82H74BN5O2
• Molecular Weight: 1172.34 g/mol
• Exact Mass: 1171.59
• IUPAC Name: 10-[11-carbazol-9-yl-8,14-bis(3,5-ditert-butylphenyl)-17-phenoxazin-10-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-nonaen-5-yl]phenoxazine
• SMILES: CC(C)(C)c1cc(N2c3cc(N4c5ccccc5Oc5ccccc54)ccc3B3c4ccc(N5c6ccccc6Oc6ccccc65)cc4N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(-n5c6ccccc6c6ccccc65)cc2c43)cc(C(C)(C)C)c1
• InChI: InChI=1S/C82H74BN5O2/c1-79(2,3)51-41-52(80(4,5)6)44-57(43-51)87-70-47-55(84-66-29-17-21-33-74(66)89-75-34-22-18-30-67(75)84)37-39-62(70)83-63-40-38-56(85-68-31-19-23-35-76(68)90-77-36-24-20-32-69(77)85)48-71(63)88(58-45-53(81(7,8)9)42-54(46-58)82(10,11)12)73-50-59(49-72(87)78(73)83)86-64-27-15-13-25-60(64)61-26-14-16-28-65(61)86/h13-50H,1-12H3
• InChIKey: OJHITMZHLFUEGA-UHFFFAOYSA-N
• XLogP: 21.21
• TPSA: 36.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1172.34
LogP ≤ 5	21.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[11-carbazol-9-yl-8,14-bis(3,5-ditert-butylphenyl)-17-phenoxazin-10-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-nonaen-5-yl]phenoxazine?

The IUPAC name of 10-[11-carbazol-9-yl-8,14-bis(3,5-ditert-butylphenyl)-17-phenoxazin-10-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-nonaen-5-yl]phenoxazine (CID 170669479) is 10-[11-carbazol-9-yl-8,14-bis(3,5-ditert-butylphenyl)-17-phenoxazin-10-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-nonaen-5-yl]phenoxazine.

What is the SMILES notation for 10-[11-carbazol-9-yl-8,14-bis(3,5-ditert-butylphenyl)-17-phenoxazin-10-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-nonaen-5-yl]phenoxazine?

The canonical SMILES for 10-[11-carbazol-9-yl-8,14-bis(3,5-ditert-butylphenyl)-17-phenoxazin-10-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-nonaen-5-yl]phenoxazine is CC(C)(C)c1cc(N2c3cc(N4c5ccccc5Oc5ccccc54)ccc3B3c4ccc(N5c6ccccc6Oc6ccccc65)cc4N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(-n5c6ccccc6c6ccccc65)cc2c43)cc(C(C)(C)C)c1.

What is the InChIKey of 10-[11-carbazol-9-yl-8,14-bis(3,5-ditert-butylphenyl)-17-phenoxazin-10-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-nonaen-5-yl]phenoxazine?

The InChIKey is OJHITMZHLFUEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H74BN5O2/c1-79(2,3)51-41-52(80(4,5)6)44-57(43-51)87-70-47-55(84-66-29-17-21-33-74(66)89-75-34-22-18-30-67(75)84)37-39-62(70)83-63-40-38-56(85-68-31-19-23-35-76(68)90-77-36-24-20-32-69(77)85)48-71(63)88(58-45-53(81(7,8)9)42-54(46-58)82(10,11)12)73-50-59(49-72(87)78(73)83)86-64-27-15-13-25-60(64)61-26-14-16-28-65(61)86/h13-50H,1-12H3.

What are the key properties of 10-[11-carbazol-9-yl-8,14-bis(3,5-ditert-butylphenyl)-17-phenoxazin-10-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-nonaen-5-yl]phenoxazine?

10-[11-carbazol-9-yl-8,14-bis(3,5-ditert-butylphenyl)-17-phenoxazin-10-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-nonaen-5-yl]phenoxazine has a molecular weight of 1172.34 g/mol, XLogP of 21.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[11-carbazol-9-yl-8,14-bis(3,5-ditert-butylphenyl)-17-phenoxazin-10-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-nonaen-5-yl]phenoxazine is sourced from PubChem (CID 170669479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).