6-[3-(4-diphenylphosphorylphenyl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]

C115H72N5O3P — CID 163988841

About 6-[3-(4-diphenylphosphorylphenyl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]

6-[3-(4-diphenylphosphorylphenyl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] (PubChem CID 163988841) has the molecular formula C115H72N5O3P and a molecular weight of 1602.85 g/mol. Its IUPAC name is 6-[3-(4-diphenylphosphorylphenyl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 6-[3-(4-diphenylphosphorylphenyl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
• PubChem CID: 163988841
• Molecular Formula: C115H72N5O3P
• Molecular Weight: 1602.85 g/mol
• Exact Mass: 1601.54
• IUPAC Name: 6-[3-(4-diphenylphosphorylphenyl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3nc4ccccc4c4c5c(ccc34)C3(c4ccccc4O5)c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc6ccccc6c6c7c(ccc56)C5(c6ccccc6O7)c6ccccc6-c6ccccc65)c4)cc3)cc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/C59H36N4O.C56H36NO2P/c1-4-19-46-42(16-1)43-17-2-5-20-47(43)59(46)48-21-6-8-25-55(48)64-58-49(59)31-30-45-56(58)44-18-3-7-22-50(44)63-57(45)40-15-13-14-39(34-40)37-26-28-38(29-27-37)41-35-53(51-23-9-11-32-60-51)62-54(36-41)52-24-10-12-33-61-52;58-60(40-18-3-1-4-19-40,41-20-5-2-6-21-41)42-32-30-37(31-33-42)38-16-15-17-39(36-38)54-46-34-35-50-55(53(46)45-24-9-13-28-51(45)57-54)59-52-29-14-12-27-49(52)56(50)47-25-10-7-22-43(47)44-23-8-11-26-48(44)56/h1-36H;1-36H
• InChIKey: TYTJZSNDVZPIMQ-UHFFFAOYSA-N
• XLogP: 27.21
• TPSA: 99.98 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1602.85
LogP ≤ 5	27.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-diphenylphosphorylphenyl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

The IUPAC name of 6-[3-(4-diphenylphosphorylphenyl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] (CID 163988841) is 6-[3-(4-diphenylphosphorylphenyl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene].

What is the SMILES notation for 6-[3-(4-diphenylphosphorylphenyl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

The canonical SMILES for 6-[3-(4-diphenylphosphorylphenyl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3nc4ccccc4c4c5c(ccc34)C3(c4ccccc4O5)c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc6ccccc6c6c7c(ccc56)C5(c6ccccc6O7)c6ccccc6-c6ccccc65)c4)cc3)cc(-c3ccccn3)n2)nc1.

What is the InChIKey of 6-[3-(4-diphenylphosphorylphenyl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

The InChIKey is TYTJZSNDVZPIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O.C56H36NO2P/c1-4-19-46-42(16-1)43-17-2-5-20-47(43)59(46)48-21-6-8-25-55(48)64-58-49(59)31-30-45-56(58)44-18-3-7-22-50(44)63-57(45)40-15-13-14-39(34-40)37-26-28-38(29-27-37)41-35-53(51-23-9-11-32-60-51)62-54(36-41)52-24-10-12-33-61-52;58-60(40-18-3-1-4-19-40,41-20-5-2-6-21-41)42-32-30-37(31-33-42)38-16-15-17-39(36-38)54-46-34-35-50-55(53(46)45-24-9-13-28-51(45)57-54)59-52-29-14-12-27-49(52)56(50)47-25-10-7-22-43(47)44-23-8-11-26-48(44)56/h1-36H;1-36H.

What are the key properties of 6-[3-(4-diphenylphosphorylphenyl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

6-[3-(4-diphenylphosphorylphenyl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] has a molecular weight of 1602.85 g/mol, XLogP of 27.21, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(4-diphenylphosphorylphenyl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] is sourced from PubChem (CID 163988841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).