5'-phenyl-2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide

C55H35N2OP — CID 135140078

About 5'-phenyl-2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide

5'-phenyl-2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide (PubChem CID 135140078) has the molecular formula C55H35N2OP and a molecular weight of 770.87 g/mol. Its IUPAC name is 5'-phenyl-2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide.

Molecular Properties

• Compound Name: 5'-phenyl-2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide
• PubChem CID: 135140078
• Molecular Formula: C55H35N2OP
• Molecular Weight: 770.87 g/mol
• Exact Mass: 770.25
• IUPAC Name: 5'-phenyl-2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide
• SMILES: O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
• InChI: InChI=1S/C55H35N2OP/c58-59(39-18-5-2-6-19-39)52-29-14-10-24-45(52)55(44-23-9-13-28-51(44)57-49-27-12-7-20-40(49)42-22-15-25-46(55)54(42)57)47-35-37(31-33-53(47)59)36-30-32-50-43(34-36)41-21-8-11-26-48(41)56(50)38-16-3-1-4-17-38/h1-35H
• InChIKey: VVULAFBJJKCRDB-UHFFFAOYSA-N
• XLogP: 12.20
• TPSA: 26.93 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.87
LogP ≤ 5	12.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5'-phenyl-2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide?

The IUPAC name of 5'-phenyl-2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide (CID 135140078) is 5'-phenyl-2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide.

What is the SMILES notation for 5'-phenyl-2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide?

The canonical SMILES for 5'-phenyl-2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide is O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.

What is the InChIKey of 5'-phenyl-2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide?

The InChIKey is VVULAFBJJKCRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N2OP/c58-59(39-18-5-2-6-19-39)52-29-14-10-24-45(52)55(44-23-9-13-28-51(44)57-49-27-12-7-20-40(49)42-22-15-25-46(55)54(42)57)47-35-37(31-33-53(47)59)36-30-32-50-43(34-36)41-21-8-11-26-48(41)56(50)38-16-3-1-4-17-38/h1-35H.

What are the key properties of 5'-phenyl-2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide?

5'-phenyl-2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide has a molecular weight of 770.87 g/mol, XLogP of 12.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-phenyl-2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide is sourced from PubChem (CID 135140078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).