4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile

C169H105N7O5 — CID 162244797

IUPAC4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3ccccc32)c1.c1ccc(-c2ccc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)nn2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)nc4ccccc34)cc2)cc1.c1ccc(-c2nnc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)o2)cc1
InChIInChI=1S/C51H32N2O.C41H26N2O.C39H24N2O2.C38H23NO/c1-2-14-33(15-3-1)34-28-30-35(31-29-34)48-41-20-6-10-26-46(41)52-50(53-48)37-17-12-16-36(32-37)38-21-13-25-45-49(38)54-47-27-11-9-24-44(47)51(45)42-22-7-4-18-39(42)40-19-5-8-23-43(40)51;1-2-12-27(13-3-1)37-24-25-38(43-42-37)29-15-10-14-28(26-29)30-18-11-22-36-40(30)44-39-23-9-8-21-35(39)41(36)33-19-6-4-16-31(33)32-17-5-7-20-34(32)41;1-2-12-25(13-3-1)37-40-41-38(43-37)27-15-10-14-26(24-27)28-18-11-22-34-36(28)42-35-23-9-8-21-33(35)39(34)31-19-6-4-16-29(31)30-17-5-7-20-32(30)39;39-24-27-11-1-2-14-28(27)25-12-9-13-26(23-25)29-17-10-21-35-37(29)40-36-22-8-7-20-34(36)38(35)32-18-5-3-15-30(32)31-16-4-6-19-33(31)38/h1-32H;1-26H;1-24H;1-23H
InChIKeyZXEMYXJBUDMJOV-UHFFFAOYSA-N
MW2313.74 g/mol
LogP41.61
Rot. Bonds12

About 4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile

4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile (PubChem CID 162244797) has the molecular formula C169H105N7O5 and a molecular weight of 2313.74 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile.

Molecular Properties

Compound Name4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile
PubChem CID162244797
Molecular FormulaC169H105N7O5
Molecular Weight2313.74 g/mol
Exact Mass2311.82
IUPAC Name4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3ccccc32)c1.c1ccc(-c2ccc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)nn2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)nc4ccccc34)cc2)cc1.c1ccc(-c2nnc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)o2)cc1
InChIInChI=1S/C51H32N2O.C41H26N2O.C39H24N2O2.C38H23NO/c1-2-14-33(15-3-1)34-28-30-35(31-29-34)48-41-20-6-10-26-46(41)52-50(53-48)37-17-12-16-36(32-37)38-21-13-25-45-49(38)54-47-27-11-9-24-44(47)51(45)42-22-7-4-18-39(42)40-19-5-8-23-43(40)51;1-2-12-27(13-3-1)37-24-25-38(43-42-37)29-15-10-14-28(26-29)30-18-11-22-36-40(30)44-39-23-9-8-21-35(39)41(36)33-19-6-4-16-31(33)32-17-5-7-20-34(32)41;1-2-12-25(13-3-1)37-40-41-38(43-37)27-15-10-14-26(24-27)28-18-11-22-34-36(28)42-35-23-9-8-21-33(35)39(34)31-19-6-4-16-29(31)30-17-5-7-20-32(30)39;39-24-27-11-1-2-14-28(27)25-12-9-13-26(23-25)29-17-10-21-35-37(29)40-36-22-8-7-20-34(36)38(35)32-18-5-3-15-30(32)31-16-4-6-19-33(31)38/h1-32H;1-26H;1-24H;1-23H
InChIKeyZXEMYXJBUDMJOV-UHFFFAOYSA-N
XLogP41.61
TPSA151.19 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms181
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002313.74
LogP ≤ 541.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile?
The IUPAC name of 4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile (CID 162244797) is 4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile.
What is the SMILES notation for 4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile?
The canonical SMILES for 4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile is N#Cc1ccccc1-c1cccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3ccccc32)c1.c1ccc(-c2ccc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)nn2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)nc4ccccc34)cc2)cc1.c1ccc(-c2nnc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)o2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile?
The InChIKey is ZXEMYXJBUDMJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O.C41H26N2O.C39H24N2O2.C38H23NO/c1-2-14-33(15-3-1)34-28-30-35(31-29-34)48-41-20-6-10-26-46(41)52-50(53-48)37-17-12-16-36(32-37)38-21-13-25-45-49(38)54-47-27-11-9-24-44(47)51(45)42-22-7-4-18-39(42)40-19-5-8-23-43(40)51;1-2-12-27(13-3-1)37-24-25-38(43-42-37)29-15-10-14-28(26-29)30-18-11-22-36-40(30)44-39-23-9-8-21-35(39)41(36)33-19-6-4-16-31(33)32-17-5-7-20-34(32)41;1-2-12-25(13-3-1)37-40-41-38(43-37)27-15-10-14-26(24-27)28-18-11-22-34-36(28)42-35-23-9-8-21-33(35)39(34)31-19-6-4-16-29(31)30-17-5-7-20-32(30)39;39-24-27-11-1-2-14-28(27)25-12-9-13-26(23-25)29-17-10-21-35-37(29)40-36-22-8-7-20-34(36)38(35)32-18-5-3-15-30(32)31-16-4-6-19-33(31)38/h1-32H;1-26H;1-24H;1-23H.
What are the key properties of 4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile?
4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile has a molecular weight of 2313.74 g/mol, XLogP of 41.61, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile is sourced from PubChem (CID 162244797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).