1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole

C199H135N8O2PS — CID 159406361

IUPAC1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c43)c3ccccc32)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc(C6Oc7ccccc7N6c6ccccc6)cc5)c43)c3ccccc32)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc(C6Sc7ccccc7N6c6ccccc6)cc5)c43)c3ccccc32)cc1
InChIInChI=1S/C50H33N3.C50H34N2O.C50H34N2S.C49H34NOP/c1-3-16-36(17-4-1)52-45-27-12-9-24-42(45)50(43-25-10-13-28-46(43)52)41-23-8-7-20-39(41)40-22-15-21-38(48(40)50)34-30-32-35(33-31-34)49-51-44-26-11-14-29-47(44)53(49)37-18-5-2-6-19-37;2*1-3-16-36(17-4-1)51-44-26-11-9-24-42(44)50(43-25-10-12-27-45(43)51)41-23-8-7-20-39(41)40-22-15-21-38(48(40)50)34-30-32-35(33-31-34)49-52(37-18-5-2-6-19-37)46-28-13-14-29-47(46)53-49;51-52(37-19-6-2-7-20-37,38-21-8-3-9-22-38)39-33-31-35(32-34-39)40-24-16-25-42-41-23-10-11-26-43(41)49(48(40)42)44-27-12-14-29-46(44)50(36-17-4-1-5-18-36)47-30-15-13-28-45(47)49/h1-33H;2*1-33,49H;1-34H
InChIKeyLNZSZAQJVXFXAF-UHFFFAOYSA-N
MW2733.36 g/mol
LogP49.82
Rot. Bonds17

About 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole

1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole (PubChem CID 159406361) has the molecular formula C199H135N8O2PS and a molecular weight of 2733.36 g/mol. Its IUPAC name is 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole.

Molecular Properties

Compound Name1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole
PubChem CID159406361
Molecular FormulaC199H135N8O2PS
Molecular Weight2733.36 g/mol
Exact Mass2731.02
IUPAC Name1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c43)c3ccccc32)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc(C6Oc7ccccc7N6c6ccccc6)cc5)c43)c3ccccc32)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc(C6Sc7ccccc7N6c6ccccc6)cc5)c43)c3ccccc32)cc1
InChIInChI=1S/C50H33N3.C50H34N2O.C50H34N2S.C49H34NOP/c1-3-16-36(17-4-1)52-45-27-12-9-24-42(45)50(43-25-10-13-28-46(43)52)41-23-8-7-20-39(41)40-22-15-21-38(48(40)50)34-30-32-35(33-31-34)49-51-44-26-11-14-29-47(44)53(49)37-18-5-2-6-19-37;2*1-3-16-36(17-4-1)51-44-26-11-9-24-42(44)50(43-25-10-12-27-45(43)51)41-23-8-7-20-39(41)40-22-15-21-38(48(40)50)34-30-32-35(33-31-34)49-52(37-18-5-2-6-19-37)46-28-13-14-29-47(46)53-49;51-52(37-19-6-2-7-20-37,38-21-8-3-9-22-38)39-33-31-35(32-34-39)40-24-16-25-42-41-23-10-11-26-43(41)49(48(40)42)44-27-12-14-29-46(44)50(36-17-4-1-5-18-36)47-30-15-13-28-45(47)49/h1-33H;2*1-33,49H;1-34H
InChIKeyLNZSZAQJVXFXAF-UHFFFAOYSA-N
XLogP49.82
TPSA63.56 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002733.36
LogP ≤ 549.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole?
The IUPAC name of 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole (CID 159406361) is 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole.
What is the SMILES notation for 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole?
The canonical SMILES for 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c43)c3ccccc32)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc(C6Oc7ccccc7N6c6ccccc6)cc5)c43)c3ccccc32)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4-c4cccc(-c5ccc(C6Sc7ccccc7N6c6ccccc6)cc5)c43)c3ccccc32)cc1.
What is the InChIKey of 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole?
The InChIKey is LNZSZAQJVXFXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3.C50H34N2O.C50H34N2S.C49H34NOP/c1-3-16-36(17-4-1)52-45-27-12-9-24-42(45)50(43-25-10-13-28-46(43)52)41-23-8-7-20-39(41)40-22-15-21-38(48(40)50)34-30-32-35(33-31-34)49-51-44-26-11-14-29-47(44)53(49)37-18-5-2-6-19-37;2*1-3-16-36(17-4-1)51-44-26-11-9-24-42(44)50(43-25-10-12-27-45(43)51)41-23-8-7-20-39(41)40-22-15-21-38(48(40)50)34-30-32-35(33-31-34)49-52(37-18-5-2-6-19-37)46-28-13-14-29-47(46)53-49;51-52(37-19-6-2-7-20-37,38-21-8-3-9-22-38)39-33-31-35(32-34-39)40-24-16-25-42-41-23-10-11-26-43(41)49(48(40)42)44-27-12-14-29-46(44)50(36-17-4-1-5-18-36)47-30-15-13-28-45(47)49/h1-33H;2*1-33,49H;1-34H.
What are the key properties of 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole?
1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole has a molecular weight of 2733.36 g/mol, XLogP of 49.82, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-1'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene];3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzothiazole;3-phenyl-2-[4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)phenyl]-2H-1,3-benzoxazole is sourced from PubChem (CID 159406361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).