1'-(4-diphenylphosphorylphenyl)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];1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]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];3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzothiazole;3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzoxazole;4-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]-1'-ylbenzonitrile

C237H149N10O2PS — CID 158248248

About 1'-(4-diphenylphosphorylphenyl)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];1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]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];3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzothiazole;3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzoxazole;4-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]-1'-ylbenzonitrile

1'-(4-diphenylphosphorylphenyl)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];1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]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];3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzothiazole;3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzoxazole;4-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]-1'-ylbenzonitrile (PubChem CID 158248248) has the molecular formula C237H149N10O2PS and a molecular weight of 3231.91 g/mol. Its IUPAC name is 1'-(4-diphenylphosphorylphenyl)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];1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]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];3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzothiazole;3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzoxazole;4-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]-1'-ylbenzonitrile.

Molecular Properties

• Compound Name: 1'-(4-diphenylphosphorylphenyl)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];1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]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];3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzothiazole;3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzoxazole;4-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]-1'-ylbenzonitrile
• PubChem CID: 158248248
• Molecular Formula: C237H149N10O2PS
• Molecular Weight: 3231.91 g/mol
• Exact Mass: 3229.13
• IUPAC Name: 1'-(4-diphenylphosphorylphenyl)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];1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]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];3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzothiazole;3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzoxazole;4-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]-1'-ylbenzonitrile
• SMILES: N#Cc1ccc(-c2cccc3c2C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.c1ccc(-n2c(-c3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)nc3ccccc32)cc1.c1ccc(N2c3ccccc3OC2c2ccc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)cc1.c1ccc(N2c3ccccc3SC2c2ccc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)cc1
• InChI: InChI=1S/C50H31N3.C50H32N2O.C50H32N2S.C49H32NOP.C38H22N2/c1-2-14-34(15-3-1)52-46-27-11-8-24-43(46)51-49(52)33-30-28-32(29-31-33)35-18-12-19-38-36-16-4-6-21-40(36)50(47(35)38)41-22-7-10-26-45(41)53-44-25-9-5-17-37(44)39-20-13-23-42(50)48(39)53;2*1-2-14-34(15-3-1)51-45-26-10-11-27-46(45)53-49(51)33-30-28-32(29-31-33)35-18-12-19-38-36-16-4-6-21-40(36)50(47(35)38)41-22-7-9-25-44(41)52-43-24-8-5-17-37(43)39-20-13-23-42(50)48(39)52;51-52(34-15-3-1-4-16-34,35-17-5-2-6-18-35)36-31-29-33(30-32-36)37-21-13-22-40-38-19-7-9-24-42(38)49(47(37)40)43-25-10-12-28-46(43)50-45-27-11-8-20-39(45)41-23-14-26-44(49)48(41)50;39-23-24-19-21-25(22-20-24)26-11-7-12-29-27-9-1-3-14-31(27)38(36(26)29)32-15-4-6-18-35(32)40-34-17-5-2-10-28(34)30-13-8-16-33(38)37(30)40/h1-31H;2*1-31,49H;1-32H;1-22H
• InChIKey: GGJVOQBHZPEXQT-UHFFFAOYSA-N
• XLogP: 57.32
• TPSA: 99.04 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3231.91
LogP ≤ 5	57.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1'-(4-diphenylphosphorylphenyl)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];1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]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];3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzothiazole;3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzoxazole;4-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]-1'-ylbenzonitrile?

The IUPAC name of 1'-(4-diphenylphosphorylphenyl)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];1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]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];3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzothiazole;3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzoxazole;4-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]-1'-ylbenzonitrile (CID 158248248) is 1'-(4-diphenylphosphorylphenyl)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];1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]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];3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzothiazole;3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzoxazole;4-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]-1'-ylbenzonitrile.

What is the SMILES notation for 1'-(4-diphenylphosphorylphenyl)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];1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]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];3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzothiazole;3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzoxazole;4-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]-1'-ylbenzonitrile?

The canonical SMILES for 1'-(4-diphenylphosphorylphenyl)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];1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]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];3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzothiazole;3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzoxazole;4-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]-1'-ylbenzonitrile is N#Cc1ccc(-c2cccc3c2C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.c1ccc(-n2c(-c3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)nc3ccccc32)cc1.c1ccc(N2c3ccccc3OC2c2ccc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)cc1.c1ccc(N2c3ccccc3SC2c2ccc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)cc2)cc1.

What is the InChIKey of 1'-(4-diphenylphosphorylphenyl)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];1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]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];3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzothiazole;3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzoxazole;4-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]-1'-ylbenzonitrile?

The InChIKey is GGJVOQBHZPEXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3.C50H32N2O.C50H32N2S.C49H32NOP.C38H22N2/c1-2-14-34(15-3-1)52-46-27-11-8-24-43(46)51-49(52)33-30-28-32(29-31-33)35-18-12-19-38-36-16-4-6-21-40(36)50(47(35)38)41-22-7-10-26-45(41)53-44-25-9-5-17-37(44)39-20-13-23-42(50)48(39)53;2*1-2-14-34(15-3-1)51-45-26-10-11-27-46(45)53-49(51)33-30-28-32(29-31-33)35-18-12-19-38-36-16-4-6-21-40(36)50(47(35)38)41-22-7-9-25-44(41)52-43-24-8-5-17-37(43)39-20-13-23-42(50)48(39)52;51-52(34-15-3-1-4-16-34,35-17-5-2-6-18-35)36-31-29-33(30-32-36)37-21-13-22-40-38-19-7-9-24-42(38)49(47(37)40)43-25-10-12-28-46(43)50-45-27-11-8-20-39(45)41-23-14-26-44(49)48(41)50;39-23-24-19-21-25(22-20-24)26-11-7-12-29-27-9-1-3-14-31(27)38(36(26)29)32-15-4-6-18-35(32)40-34-17-5-2-10-28(34)30-13-8-16-33(38)37(30)40/h1-31H;2*1-31,49H;1-32H;1-22H.

What are the key properties of 1'-(4-diphenylphosphorylphenyl)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];1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]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];3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzothiazole;3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzoxazole;4-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]-1'-ylbenzonitrile?

1'-(4-diphenylphosphorylphenyl)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];1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]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];3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzothiazole;3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzoxazole;4-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]-1'-ylbenzonitrile has a molecular weight of 3231.91 g/mol, XLogP of 57.32, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(4-diphenylphosphorylphenyl)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];1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]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];3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzothiazole;3-phenyl-2-(4-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]-1'-ylphenyl)-2H-1,3-benzoxazole;4-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]-1'-ylbenzonitrile is sourced from PubChem (CID 158248248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).