11-(4-carbazol-9-yldibenzofuran-2-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(2-phenylphenyl)-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

About 11-(4-carbazol-9-yldibenzofuran-2-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(2-phenylphenyl)-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-(4-carbazol-9-yldibenzofuran-2-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(2-phenylphenyl)-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 169283453) has the molecular formula C102H66BN3O and a molecular weight of 1360.48 g/mol. Its IUPAC name is 11-(4-carbazol-9-yldibenzofuran-2-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(2-phenylphenyl)-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-(4-carbazol-9-yldibenzofuran-2-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(2-phenylphenyl)-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	169283453
Molecular Formula	C102H66BN3O
Molecular Weight	1360.48 g/mol
Exact Mass	1359.53
IUPAC Name	11-(4-carbazol-9-yldibenzofuran-2-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(2-phenylphenyl)-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	c1ccc(-c2ccccc2-c2ccc3c(c2)N(c2c(-c4ccccc4)cccc2-c2ccccc2)c2cc(-c4cc(-n5c6ccccc6c6ccccc65)c5oc6ccccc6c5c4)cc4c2B3c2ccc(-c3ccccc3-c3ccccc3)cc2N4c2c(-c3ccccc3)cccc2-c2ccccc2)cc1
InChI	InChI=1S/C102H66BN3O/c1-7-31-67(32-8-1)77-43-19-21-45-79(77)73-57-59-89-93(62-73)105(100-81(69-35-11-3-12-36-69)50-29-51-82(100)70-37-13-4-14-38-70)95-64-76(75-61-88-87-49-25-28-56-98(87)107-102(88)97(66-75)104-91-54-26-23-47-85(91)86-48-24-27-55-92(86)104)65-96-99(95)103(89)90-60-58-74(80-46-22-20-44-78(80)68-33-9-2-10-34-68)63-94(90)106(96)101-83(71-39-15-5-16-40-71)52-30-53-84(101)72-41-17-6-18-42-72/h1-66H
InChIKey	ITNUHRMDDFSSKL-UHFFFAOYSA-N
XLogP	25.77
TPSA	24.55 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	12
Heavy Atoms	107
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1360.48
LogP ≤ 5	25.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 11-(4-carbazol-9-yldibenzofuran-2-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(2-phenylphenyl)-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-(4-carbazol-9-yldibenzofuran-2-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(2-phenylphenyl)-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 169283453) is 11-(4-carbazol-9-yldibenzofuran-2-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(2-phenylphenyl)-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-(4-carbazol-9-yldibenzofuran-2-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(2-phenylphenyl)-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-(4-carbazol-9-yldibenzofuran-2-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(2-phenylphenyl)-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 c1ccc(-c2ccccc2-c2ccc3c(c2)N(c2c(-c4ccccc4)cccc2-c2ccccc2)c2cc(-c4cc(-n5c6ccccc6c6ccccc65)c5oc6ccccc6c5c4)cc4c2B3c2ccc(-c3ccccc3-c3ccccc3)cc2N4c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.

What is the InChIKey of 11-(4-carbazol-9-yldibenzofuran-2-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(2-phenylphenyl)-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 ITNUHRMDDFSSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H66BN3O/c1-7-31-67(32-8-1)77-43-19-21-45-79(77)73-57-59-89-93(62-73)105(100-81(69-35-11-3-12-36-69)50-29-51-82(100)70-37-13-4-14-38-70)95-64-76(75-61-88-87-49-25-28-56-98(87)107-102(88)97(66-75)104-91-54-26-23-47-85(91)86-48-24-27-55-92(86)104)65-96-99(95)103(89)90-60-58-74(80-46-22-20-44-78(80)68-33-9-2-10-34-68)63-94(90)106(96)101-83(71-39-15-5-16-40-71)52-30-53-84(101)72-41-17-6-18-42-72/h1-66H.

What are the key properties of 11-(4-carbazol-9-yldibenzofuran-2-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(2-phenylphenyl)-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-(4-carbazol-9-yldibenzofuran-2-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(2-phenylphenyl)-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 1360.48 g/mol, XLogP of 25.77, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(4-carbazol-9-yldibenzofuran-2-yl)-8,14-bis(2,6-diphenylphenyl)-5,17-bis(2-phenylphenyl)-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 169283453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).