11-carbazol-9-yl-5,17-di(dibenzofuran-1-yl)-8,14-bis(4-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-carbazol-9-yl-5,17-di(dibenzofuran-1-yl)-8,14-bis(4-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-carbazol-9-yl-5,17-di(dibenzofuran-1-yl)-8,14-bis(4-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 174089572) has the molecular formula C78H48BN3O2 and a molecular weight of 1070.07 g/mol. Its IUPAC name is 11-carbazol-9-yl-5,17-di(dibenzofuran-1-yl)-8,14-bis(4-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-carbazol-9-yl-5,17-di(dibenzofuran-1-yl)-8,14-bis(4-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	174089572
Molecular Formula	C78H48BN3O2
Molecular Weight	1070.07 g/mol
Exact Mass	1069.38
IUPAC Name	11-carbazol-9-yl-5,17-di(dibenzofuran-1-yl)-8,14-bis(4-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(-c2ccc(N3c4cc(-c5cccc6oc7ccccc7c56)ccc4B4c5ccc(-c6cccc7oc8ccccc8c67)cc5N(c5ccc(-c6ccccc6)cc5)c5cc(-n6c7ccccc7c7ccccc76)cc3c54)cc2)cc1
InChI	InChI=1S/C78H48BN3O2/c1-3-17-49(18-4-1)51-33-39-55(40-34-51)80-68-45-53(58-25-15-31-74-76(58)62-23-9-13-29-72(62)83-74)37-43-64(68)79-65-44-38-54(59-26-16-32-75-77(59)63-24-10-14-30-73(63)84-75)46-69(65)81(56-41-35-52(36-42-56)50-19-5-2-6-20-50)71-48-57(47-70(80)78(71)79)82-66-27-11-7-21-60(66)61-22-8-12-28-67(61)82/h1-48H
InChIKey	AXOZGXCLPYXCOZ-UHFFFAOYSA-N
XLogP	19.33
TPSA	37.69 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	84
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1070.07
LogP ≤ 5	19.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 11-carbazol-9-yl-5,17-di(dibenzofuran-1-yl)-8,14-bis(4-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-carbazol-9-yl-5,17-di(dibenzofuran-1-yl)-8,14-bis(4-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 174089572) is 11-carbazol-9-yl-5,17-di(dibenzofuran-1-yl)-8,14-bis(4-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-carbazol-9-yl-5,17-di(dibenzofuran-1-yl)-8,14-bis(4-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-carbazol-9-yl-5,17-di(dibenzofuran-1-yl)-8,14-bis(4-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(-c2ccc(N3c4cc(-c5cccc6oc7ccccc7c56)ccc4B4c5ccc(-c6cccc7oc8ccccc8c67)cc5N(c5ccc(-c6ccccc6)cc5)c5cc(-n6c7ccccc7c7ccccc76)cc3c54)cc2)cc1.

What is the InChIKey of 11-carbazol-9-yl-5,17-di(dibenzofuran-1-yl)-8,14-bis(4-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 AXOZGXCLPYXCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48BN3O2/c1-3-17-49(18-4-1)51-33-39-55(40-34-51)80-68-45-53(58-25-15-31-74-76(58)62-23-9-13-29-72(62)83-74)37-43-64(68)79-65-44-38-54(59-26-16-32-75-77(59)63-24-10-14-30-73(63)84-75)46-69(65)81(56-41-35-52(36-42-56)50-19-5-2-6-20-50)71-48-57(47-70(80)78(71)79)82-66-27-11-7-21-60(66)61-22-8-12-28-67(61)82/h1-48H.

What are the key properties of 11-carbazol-9-yl-5,17-di(dibenzofuran-1-yl)-8,14-bis(4-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-carbazol-9-yl-5,17-di(dibenzofuran-1-yl)-8,14-bis(4-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 1070.07 g/mol, XLogP of 19.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-carbazol-9-yl-5,17-di(dibenzofuran-1-yl)-8,14-bis(4-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 174089572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).