4-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-10-phenylspiro[acridine-9,9'-fluorene]

C81H51NP2 — CID 155334280

About 4-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-10-phenylspiro[acridine-9,9'-fluorene]

4-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 155334280) has the molecular formula C81H51NP2 and a molecular weight of 1100.25 g/mol. Its IUPAC name is 4-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 4-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-10-phenylspiro[acridine-9,9'-fluorene]
• PubChem CID: 155334280
• Molecular Formula: C81H51NP2
• Molecular Weight: 1100.25 g/mol
• Exact Mass: 1099.35
• IUPAC Name: 4-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-10-phenylspiro[acridine-9,9'-fluorene]
• SMILES: c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3cccc(-c4c5cccc(-c6cccc7c8ccccc8p(-c8ccccc8)c67)c5cc5c(-c6cccc7c8ccccc8p(-c8ccccc8)c67)cccc45)c32)cc1
• InChI: InChI=1S/C81H51NP2/c1-4-25-52(26-5-1)82-74-48-17-16-46-72(74)81(70-44-14-10-31-57(70)58-32-11-15-45-71(58)81)73-47-24-43-67(78(73)82)77-61-37-20-35-55(63-39-22-41-65-59-33-12-18-49-75(59)83(79(63)65)53-27-6-2-7-28-53)68(61)51-69-56(36-21-38-62(69)77)64-40-23-42-66-60-34-13-19-50-76(60)84(80(64)66)54-29-8-3-9-30-54/h1-51H
• InChIKey: CWTQLCMNIVTKHT-UHFFFAOYSA-N
• XLogP: 23.70
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1100.25
LogP ≤ 5	23.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-10-phenylspiro[acridine-9,9'-fluorene]?

The IUPAC name of 4-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-10-phenylspiro[acridine-9,9'-fluorene] (CID 155334280) is 4-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-10-phenylspiro[acridine-9,9'-fluorene].

What is the SMILES notation for 4-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-10-phenylspiro[acridine-9,9'-fluorene]?

The canonical SMILES for 4-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-10-phenylspiro[acridine-9,9'-fluorene] is c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3cccc(-c4c5cccc(-c6cccc7c8ccccc8p(-c8ccccc8)c67)c5cc5c(-c6cccc7c8ccccc8p(-c8ccccc8)c67)cccc45)c32)cc1.

What is the InChIKey of 4-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-10-phenylspiro[acridine-9,9'-fluorene]?

The InChIKey is CWTQLCMNIVTKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H51NP2/c1-4-25-52(26-5-1)82-74-48-17-16-46-72(74)81(70-44-14-10-31-57(70)58-32-11-15-45-71(58)81)73-47-24-43-67(78(73)82)77-61-37-20-35-55(63-39-22-41-65-59-33-12-18-49-75(59)83(79(63)65)53-27-6-2-7-28-53)68(61)51-69-56(36-21-38-62(69)77)64-40-23-42-66-60-34-13-19-50-76(60)84(80(64)66)54-29-8-3-9-30-54/h1-51H.

What are the key properties of 4-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-10-phenylspiro[acridine-9,9'-fluorene]?

4-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 1100.25 g/mol, XLogP of 23.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-yl]-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 155334280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).