4'-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-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-13,9'-fluorene]

C81H49NP2 — CID 155334554

About 4'-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-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-13,9'-fluorene]

4'-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-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-13,9'-fluorene] (PubChem CID 155334554) has the molecular formula C81H49NP2 and a molecular weight of 1098.24 g/mol. Its IUPAC name is 4'-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-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-13,9'-fluorene].

Molecular Properties

• Compound Name: 4'-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-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-13,9'-fluorene]
• PubChem CID: 155334554
• Molecular Formula: C81H49NP2
• Molecular Weight: 1098.24 g/mol
• Exact Mass: 1097.33
• IUPAC Name: 4'-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-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-13,9'-fluorene]
• SMILES: c1ccc(-p2c3ccccc3c3cccc(-c4cccc5c(-c6cccc7c6-c6ccccc6C76c7ccccc7-n7c8ccccc8c8cccc6c87)c6cccc(-c7cccc8c9ccccc9p(-c9ccccc9)c78)c6cc45)c32)cc1
• InChI: InChI=1S/C81H49NP2/c1-3-23-50(24-4-1)83-74-47-15-9-28-55(74)62-38-19-36-60(79(62)83)52-31-17-33-57-66(52)49-67-53(61-37-20-39-63-56-29-10-16-48-75(56)84(80(61)63)51-25-5-2-6-26-51)32-18-34-58(67)76(57)65-40-22-43-70-77(65)64-30-7-11-41-68(64)81(70)69-42-12-14-46-73(69)82-72-45-13-8-27-54(72)59-35-21-44-71(81)78(59)82/h1-49H
• InChIKey: OVSUUQDFRBEYMN-UHFFFAOYSA-N
• XLogP: 23.33
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1098.24
LogP ≤ 5	23.33
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]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The IUPAC name of 4'-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-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-13,9'-fluorene] (CID 155334554) is 4'-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-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-13,9'-fluorene].

What is the SMILES notation for 4'-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-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-13,9'-fluorene]?

The canonical SMILES for 4'-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-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-13,9'-fluorene] is c1ccc(-p2c3ccccc3c3cccc(-c4cccc5c(-c6cccc7c6-c6ccccc6C76c7ccccc7-n7c8ccccc8c8cccc6c87)c6cccc(-c7cccc8c9ccccc9p(-c9ccccc9)c78)c6cc45)c32)cc1.

What is the InChIKey of 4'-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-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-13,9'-fluorene]?

The InChIKey is OVSUUQDFRBEYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H49NP2/c1-3-23-50(24-4-1)83-74-47-15-9-28-55(74)62-38-19-36-60(79(62)83)52-31-17-33-57-66(52)49-67-53(61-37-20-39-63-56-29-10-16-48-75(56)84(80(61)63)51-25-5-2-6-26-51)32-18-34-58(67)76(57)65-40-22-43-70-77(65)64-30-7-11-41-68(64)81(70)69-42-12-14-46-73(69)82-72-45-13-8-27-54(72)59-35-21-44-71(81)78(59)82/h1-49H.

What are the key properties of 4'-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-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-13,9'-fluorene]?

4'-[4,5-bis(5-phenylbenzo[b]phosphindol-4-yl)anthracen-9-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-13,9'-fluorene] has a molecular weight of 1098.24 g/mol, XLogP of 23.33, 5 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]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is sourced from PubChem (CID 155334554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).