bis(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-oxophosphanium

C60H32N2O5P+ — CID 59147587

About bis(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-oxophosphanium

bis(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-oxophosphanium (PubChem CID 59147587) has the molecular formula C60H32N2O5P+ and a molecular weight of 891.90 g/mol. Its IUPAC name is bis(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-oxophosphanium.

Molecular Properties

• Compound Name: bis(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-oxophosphanium
• PubChem CID: 59147587
• Molecular Formula: C60H32N2O5P+
• Molecular Weight: 891.90 g/mol
• Exact Mass: 891.20
• IUPAC Name: bis(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-oxophosphanium
• SMILES: O=[P+](c1ccc2oc3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3c2c1)c1ccc2oc3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3c2c1
• InChI: InChI=1S/C60H32N2O5P/c63-68(35-19-23-51-43(31-35)59-55(66-51)27-25-53-57(59)41-29-33(17-21-49(41)64-53)61-45-13-5-1-9-37(45)38-10-2-6-14-46(38)61)36-20-24-52-44(32-36)60-56(67-52)28-26-54-58(60)42-30-34(18-22-50(42)65-54)62-47-15-7-3-11-39(47)40-12-4-8-16-48(40)62/h1-32H/q+1
• InChIKey: KLHYJCBNSPOJTI-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 79.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.90
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-oxophosphanium?

The IUPAC name of bis(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-oxophosphanium (CID 59147587) is bis(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-oxophosphanium.

What is the SMILES notation for bis(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-oxophosphanium?

The canonical SMILES for bis(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-oxophosphanium is O=[P+](c1ccc2oc3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3c2c1)c1ccc2oc3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3c2c1.

What is the InChIKey of bis(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-oxophosphanium?

The InChIKey is KLHYJCBNSPOJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H32N2O5P/c63-68(35-19-23-51-43(31-35)59-55(66-51)27-25-53-57(59)41-29-33(17-21-49(41)64-53)61-45-13-5-1-9-37(45)38-10-2-6-14-46(38)61)36-20-24-52-44(32-36)60-56(67-52)28-26-54-58(60)42-30-34(18-22-50(42)65-54)62-47-15-7-3-11-39(47)40-12-4-8-16-48(40)62/h1-32H/q+1.

What are the key properties of bis(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-oxophosphanium?

bis(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-oxophosphanium has a molecular weight of 891.90 g/mol, XLogP of 16.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(18-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-oxophosphanium is sourced from PubChem (CID 59147587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).