5-[3-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide

C52H34N5OP — CID 130260294

About 5-[3-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide

5-[3-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide (PubChem CID 130260294) has the molecular formula C52H34N5OP and a molecular weight of 775.85 g/mol. Its IUPAC name is 5-[3-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide.

Molecular Properties

• Compound Name: 5-[3-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide
• PubChem CID: 130260294
• Molecular Formula: C52H34N5OP
• Molecular Weight: 775.85 g/mol
• Exact Mass: 775.25
• IUPAC Name: 5-[3-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide
• SMILES: O=P1(c2ccccc2)c2ccccc2N(c2cccc(-c3cc(-n4c5ccccc5c5ccncc54)cc(-n4c5ccccc5c5ccncc54)c3)c2)c2ccccc21
• InChI: InChI=1S/C52H34N5OP/c58-59(40-15-2-1-3-16-40)51-23-10-8-21-47(51)55(48-22-9-11-24-52(48)59)37-14-12-13-35(29-37)36-30-38(56-45-19-6-4-17-41(45)43-25-27-53-33-49(43)56)32-39(31-36)57-46-20-7-5-18-42(46)44-26-28-54-34-50(44)57/h1-34H
• InChIKey: RRQDUJPGBCFCJT-UHFFFAOYSA-N
• XLogP: 11.76
• TPSA: 55.95 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.85
LogP ≤ 5	11.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide?

The IUPAC name of 5-[3-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide (CID 130260294) is 5-[3-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide.

What is the SMILES notation for 5-[3-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide?

The canonical SMILES for 5-[3-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide is O=P1(c2ccccc2)c2ccccc2N(c2cccc(-c3cc(-n4c5ccccc5c5ccncc54)cc(-n4c5ccccc5c5ccncc54)c3)c2)c2ccccc21.

What is the InChIKey of 5-[3-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide?

The InChIKey is RRQDUJPGBCFCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N5OP/c58-59(40-15-2-1-3-16-40)51-23-10-8-21-47(51)55(48-22-9-11-24-52(48)59)37-14-12-13-35(29-37)36-30-38(56-45-19-6-4-17-41(45)43-25-27-53-33-49(43)56)32-39(31-36)57-46-20-7-5-18-42(46)44-26-28-54-34-50(44)57/h1-34H.

What are the key properties of 5-[3-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide?

5-[3-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide has a molecular weight of 775.85 g/mol, XLogP of 11.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[3,5-bis(pyrido[3,4-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide is sourced from PubChem (CID 130260294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).