1-(4-carbazol-9-ylphenyl)-6,16-dimethyl-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene;chloroform

C38H28BCl3N2O2 — CID 139161522

About 1-(4-carbazol-9-ylphenyl)-6,16-dimethyl-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene;chloroform

1-(4-carbazol-9-ylphenyl)-6,16-dimethyl-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene;chloroform (PubChem CID 139161522) has the molecular formula C38H28BCl3N2O2 and a molecular weight of 661.83 g/mol. Its IUPAC name is 1-(4-carbazol-9-ylphenyl)-6,16-dimethyl-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene;chloroform.

Molecular Properties

• Compound Name: 1-(4-carbazol-9-ylphenyl)-6,16-dimethyl-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene;chloroform
• PubChem CID: 139161522
• Molecular Formula: C38H28BCl3N2O2
• Molecular Weight: 661.83 g/mol
• Exact Mass: 660.13
• IUPAC Name: 1-(4-carbazol-9-ylphenyl)-6,16-dimethyl-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene;chloroform
• SMILES: Cc1ccc2c(c1)-c1cccc3[n+]1[B-](c1ccc(-n4c5ccccc5c5ccccc54)cc1)(O2)Oc1ccc(C)cc1-3.ClC(Cl)Cl
• InChI: InChI=1S/C37H27BN2O2.CHCl3/c1-24-14-20-36-30(22-24)34-12-7-13-35-31-23-25(2)15-21-37(31)42-38(41-36,40(34)35)26-16-18-27(19-17-26)39-32-10-5-3-8-28(32)29-9-4-6-11-33(29)39;2-1(3)4/h3-23H,1-2H3;1H
• InChIKey: JCEXSUGKSRKUDV-UHFFFAOYSA-N
• XLogP: 9.49
• TPSA: 27.27 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.83
LogP ≤ 5	9.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbazol-9-ylphenyl)-6,16-dimethyl-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene;chloroform?

The IUPAC name of 1-(4-carbazol-9-ylphenyl)-6,16-dimethyl-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene;chloroform (CID 139161522) is 1-(4-carbazol-9-ylphenyl)-6,16-dimethyl-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene;chloroform.

What is the SMILES notation for 1-(4-carbazol-9-ylphenyl)-6,16-dimethyl-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene;chloroform?

The canonical SMILES for 1-(4-carbazol-9-ylphenyl)-6,16-dimethyl-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene;chloroform is Cc1ccc2c(c1)-c1cccc3[n+]1[B-](c1ccc(-n4c5ccccc5c5ccccc54)cc1)(O2)Oc1ccc(C)cc1-3.ClC(Cl)Cl.

What is the InChIKey of 1-(4-carbazol-9-ylphenyl)-6,16-dimethyl-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene;chloroform?

The InChIKey is JCEXSUGKSRKUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27BN2O2.CHCl3/c1-24-14-20-36-30(22-24)34-12-7-13-35-31-23-25(2)15-21-37(31)42-38(41-36,40(34)35)26-16-18-27(19-17-26)39-32-10-5-3-8-28(32)29-9-4-6-11-33(29)39;2-1(3)4/h3-23H,1-2H3;1H.

What are the key properties of 1-(4-carbazol-9-ylphenyl)-6,16-dimethyl-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene;chloroform?

1-(4-carbazol-9-ylphenyl)-6,16-dimethyl-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene;chloroform has a molecular weight of 661.83 g/mol, XLogP of 9.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-carbazol-9-ylphenyl)-6,16-dimethyl-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaene;chloroform is sourced from PubChem (CID 139161522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).