11-carbazol-9-yl-5,17-bis(8-phenyldibenzofuran-2-yl)-14-(2-phenylphenyl)-8-oxa-14-aza-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-bis(8-phenyldibenzofuran-2-yl)-14-(2-phenylphenyl)-8-oxa-14-aza-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-bis(8-phenyldibenzofuran-2-yl)-14-(2-phenylphenyl)-8-oxa-14-aza-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 174089618) has the molecular formula C78H47BN2O3 and a molecular weight of 1071.06 g/mol. Its IUPAC name is 11-carbazol-9-yl-5,17-bis(8-phenyldibenzofuran-2-yl)-14-(2-phenylphenyl)-8-oxa-14-aza-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-bis(8-phenyldibenzofuran-2-yl)-14-(2-phenylphenyl)-8-oxa-14-aza-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	174089618
Molecular Formula	C78H47BN2O3
Molecular Weight	1071.06 g/mol
Exact Mass	1070.37
IUPAC Name	11-carbazol-9-yl-5,17-bis(8-phenyldibenzofuran-2-yl)-14-(2-phenylphenyl)-8-oxa-14-aza-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(-c2ccc3oc4ccc(-c5ccc6c(c5)Oc5cc(-n7c8ccccc8c8ccccc87)cc7c5B6c5ccc(-c6ccc8oc9ccc(-c%10ccccc%10)cc9c8c6)cc5N7c5ccccc5-c5ccccc5)cc4c3c2)cc1
InChI	InChI=1S/C78H47BN2O3/c1-4-16-48(17-5-1)51-30-36-72-61(40-51)63-42-53(32-38-74(63)82-72)55-28-34-65-70(44-55)81(67-25-13-10-22-58(67)50-20-8-3-9-21-50)71-46-57(80-68-26-14-11-23-59(68)60-24-12-15-27-69(60)80)47-77-78(71)79(65)66-35-29-56(45-76(66)84-77)54-33-39-75-64(43-54)62-41-52(31-37-73(62)83-75)49-18-6-2-7-19-49/h1-47H
InChIKey	LINHPYYVTSNZTN-UHFFFAOYSA-N
XLogP	19.32
TPSA	43.68 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	1071.06
LogP ≤ 5	19.32
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-bis(8-phenyldibenzofuran-2-yl)-14-(2-phenylphenyl)-8-oxa-14-aza-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-bis(8-phenyldibenzofuran-2-yl)-14-(2-phenylphenyl)-8-oxa-14-aza-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 174089618) is 11-carbazol-9-yl-5,17-bis(8-phenyldibenzofuran-2-yl)-14-(2-phenylphenyl)-8-oxa-14-aza-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-bis(8-phenyldibenzofuran-2-yl)-14-(2-phenylphenyl)-8-oxa-14-aza-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-bis(8-phenyldibenzofuran-2-yl)-14-(2-phenylphenyl)-8-oxa-14-aza-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(-c2ccc3oc4ccc(-c5ccc6c(c5)Oc5cc(-n7c8ccccc8c8ccccc87)cc7c5B6c5ccc(-c6ccc8oc9ccc(-c%10ccccc%10)cc9c8c6)cc5N7c5ccccc5-c5ccccc5)cc4c3c2)cc1.

What is the InChIKey of 11-carbazol-9-yl-5,17-bis(8-phenyldibenzofuran-2-yl)-14-(2-phenylphenyl)-8-oxa-14-aza-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 LINHPYYVTSNZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H47BN2O3/c1-4-16-48(17-5-1)51-30-36-72-61(40-51)63-42-53(32-38-74(63)82-72)55-28-34-65-70(44-55)81(67-25-13-10-22-58(67)50-20-8-3-9-21-50)71-46-57(80-68-26-14-11-23-59(68)60-24-12-15-27-69(60)80)47-77-78(71)79(65)66-35-29-56(45-76(66)84-77)54-33-39-75-64(43-54)62-41-52(31-37-73(62)83-75)49-18-6-2-7-19-49/h1-47H.

What are the key properties of 11-carbazol-9-yl-5,17-bis(8-phenyldibenzofuran-2-yl)-14-(2-phenylphenyl)-8-oxa-14-aza-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-bis(8-phenyldibenzofuran-2-yl)-14-(2-phenylphenyl)-8-oxa-14-aza-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 1071.06 g/mol, XLogP of 19.32, 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-bis(8-phenyldibenzofuran-2-yl)-14-(2-phenylphenyl)-8-oxa-14-aza-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 174089618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).