10-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 118220321

About 10-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

10-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 118220321) has the molecular formula C30H18NO3P and a molecular weight of 471.45 g/mol. Its IUPAC name is 10-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: 10-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: 118220321
• Molecular Formula: C30H18NO3P
• Molecular Weight: 471.45 g/mol
• Exact Mass: 471.10
• IUPAC Name: 10-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=P12c3ccccc3Oc3ccc(-n4c5ccccc5c5ccccc54)c(c31)Oc1ccccc12
• InChI: InChI=1S/C30H18NO3P/c32-35-27-15-7-5-13-24(27)33-26-18-17-23(29(30(26)35)34-25-14-6-8-16-28(25)35)31-21-11-3-1-9-19(21)20-10-2-4-12-22(20)31/h1-18H
• InChIKey: QCRJEHLBMQXDQV-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 10-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 10-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 118220321) is 10-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 10-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 10-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=P12c3ccccc3Oc3ccc(-n4c5ccccc5c5ccccc54)c(c31)Oc1ccccc12.

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

What are the key properties of 10-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?

10-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 10-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 118220321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).