9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)carbazole

C30H18BNO2 — CID 160608375

About 9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)carbazole

9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)carbazole (PubChem CID 160608375) has the molecular formula C30H18BNO2 and a molecular weight of 435.29 g/mol. Its IUPAC name is 9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)carbazole.

Molecular Properties

• Compound Name: 9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)carbazole
• PubChem CID: 160608375
• Molecular Formula: C30H18BNO2
• Molecular Weight: 435.29 g/mol
• Exact Mass: 435.14
• IUPAC Name: 9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)carbazole
• SMILES: c1ccc2c(c1)Oc1cccc3c1B2c1cccc(-n2c4ccccc4c4ccccc42)c1O3
• InChI: InChI=1S/C30H18BNO2/c1-4-13-23-19(9-1)20-10-2-5-14-24(20)32(23)25-15-7-12-22-30(25)34-28-18-8-17-27-29(28)31(22)21-11-3-6-16-26(21)33-27/h1-18H
• InChIKey: RFEIMERHCAJRNR-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 23.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.29
LogP ≤ 5	5.51
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-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)carbazole?

The IUPAC name of 9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)carbazole (CID 160608375) is 9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)carbazole.

What is the SMILES notation for 9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)carbazole?

The canonical SMILES for 9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)carbazole is c1ccc2c(c1)Oc1cccc3c1B2c1cccc(-n2c4ccccc4c4ccccc42)c1O3.

What is the InChIKey of 9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)carbazole?

The InChIKey is RFEIMERHCAJRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18BNO2/c1-4-13-23-19(9-1)20-10-2-5-14-24(20)32(23)25-15-7-12-22-30(25)34-28-18-8-17-27-29(28)31(22)21-11-3-6-16-26(21)33-27/h1-18H.

What are the key properties of 9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)carbazole?

9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)carbazole has a molecular weight of 435.29 g/mol, XLogP of 5.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-6-yl)carbazole is sourced from PubChem (CID 160608375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).