9-[2-[17-(2-phenylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-11-yl]phenyl]carbazole

C48H30BNO2 — CID 177103802

About 9-[2-[17-(2-phenylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-11-yl]phenyl]carbazole

9-[2-[17-(2-phenylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-11-yl]phenyl]carbazole (PubChem CID 177103802) has the molecular formula C48H30BNO2 and a molecular weight of 663.59 g/mol. Its IUPAC name is 9-[2-[17-(2-phenylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-11-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2-[17-(2-phenylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-11-yl]phenyl]carbazole
• PubChem CID: 177103802
• Molecular Formula: C48H30BNO2
• Molecular Weight: 663.59 g/mol
• Exact Mass: 663.24
• IUPAC Name: 9-[2-[17-(2-phenylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-11-yl]phenyl]carbazole
• SMILES: c1ccc(-c2ccccc2-c2ccc3c(c2)OB2c4ccccc4Oc4cc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc-3c42)cc1
• InChI: InChI=1S/C48H30BNO2/c1-2-14-31(15-3-1)34-16-4-5-17-35(34)32-26-27-39-40-28-33(30-47-48(40)49(52-46(39)29-32)41-21-9-13-25-45(41)51-47)36-18-6-10-22-42(36)50-43-23-11-7-19-37(43)38-20-8-12-24-44(38)50/h1-30H
• InChIKey: SYCMZVQXPMVCDW-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 23.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.59
LogP ≤ 5	11.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[2-[17-(2-phenylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-11-yl]phenyl]carbazole?

The IUPAC name of 9-[2-[17-(2-phenylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-11-yl]phenyl]carbazole (CID 177103802) is 9-[2-[17-(2-phenylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-11-yl]phenyl]carbazole.

What is the SMILES notation for 9-[2-[17-(2-phenylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-11-yl]phenyl]carbazole?

The canonical SMILES for 9-[2-[17-(2-phenylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-11-yl]phenyl]carbazole is c1ccc(-c2ccccc2-c2ccc3c(c2)OB2c4ccccc4Oc4cc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc-3c42)cc1.

What is the InChIKey of 9-[2-[17-(2-phenylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-11-yl]phenyl]carbazole?

The InChIKey is SYCMZVQXPMVCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30BNO2/c1-2-14-31(15-3-1)34-16-4-5-17-35(34)32-26-27-39-40-28-33(30-47-48(40)49(52-46(39)29-32)41-21-9-13-25-45(41)51-47)36-18-6-10-22-42(36)50-43-23-11-7-19-37(43)38-20-8-12-24-44(38)50/h1-30H.

What are the key properties of 9-[2-[17-(2-phenylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-11-yl]phenyl]carbazole?

9-[2-[17-(2-phenylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-11-yl]phenyl]carbazole has a molecular weight of 663.59 g/mol, XLogP of 11.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[17-(2-phenylphenyl)-8,20-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaen-11-yl]phenyl]carbazole is sourced from PubChem (CID 177103802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).