11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide

C30H18NO3P — CID 118220322

About 11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide

11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide (PubChem CID 118220322) has the molecular formula C30H18NO3P and a molecular weight of 471.45 g/mol. Its IUPAC name is 11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide.

Molecular Properties

• Compound Name: 11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
• PubChem CID: 118220322
• Molecular Formula: C30H18NO3P
• Molecular Weight: 471.45 g/mol
• Exact Mass: 471.10
• IUPAC Name: 11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
• SMILES: O=P12c3ccccc3Oc3cc(-n4c5ccccc5c5ccccc54)cc(c31)Oc1ccccc12
• InChI: InChI=1S/C30H18NO3P/c32-35-28-15-7-5-13-24(28)33-26-17-19(18-27(30(26)35)34-25-14-6-8-16-29(25)35)31-22-11-3-1-9-20(22)21-10-2-4-12-23(21)31/h1-18H
• InChIKey: YGWZRWMEEFWEOF-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 40.46 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.45
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide?

The IUPAC name of 11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide (CID 118220322) is 11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide.

What is the SMILES notation for 11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide?

The canonical SMILES for 11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide is O=P12c3ccccc3Oc3cc(-n4c5ccccc5c5ccccc54)cc(c31)Oc1ccccc12.

What is the InChIKey of 11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide?

The InChIKey is YGWZRWMEEFWEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18NO3P/c32-35-28-15-7-5-13-24(28)33-26-17-19(18-27(30(26)35)34-25-14-6-8-16-29(25)35)31-22-11-3-1-9-20(22)21-10-2-4-12-23(21)31/h1-18H.

What are the key properties of 11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide?

11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide has a molecular weight of 471.45 g/mol, XLogP of 6.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide is sourced from PubChem (CID 118220322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).