2-phenyl-1-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline

C208H128N8O5 — CID 159494540

IUPAC2-phenyl-1-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline
SMILESN#Cc1ccc(-c2cccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.N#Cc1cccc(-c2cccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)c1.c1cc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccccc32)cc(-c2ccc3ccc4cccnc4c3n2)c1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)c3ccccc3n2)cc1.c1ccc(-c2nc3ccccc3n2-c2cccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C45H28N2O.C44H28N2O.C43H26N2O.2C38H23NO/c1-2-13-29(14-3-1)44-46-40-23-10-6-19-35(40)43(47-44)32-16-12-15-30(27-32)31-25-26-39-42(28-31)48-41-24-11-9-22-38(41)45(39)36-20-7-4-17-33(36)34-18-5-8-21-37(34)45;1-2-13-29(14-3-1)43-45-39-22-9-10-23-40(39)46(43)32-16-12-15-30(27-32)31-25-26-38-42(28-31)47-41-24-11-8-21-37(41)44(38)35-19-6-4-17-33(35)34-18-5-7-20-36(34)44;1-3-14-34-32(12-1)33-13-2-4-15-35(33)43(34)36-16-5-6-17-39(36)46-40-26-30(20-22-37(40)43)29-9-7-10-31(25-29)38-23-21-28-19-18-27-11-8-24-44-41(27)42(28)45-38;39-24-25-9-7-10-26(21-25)27-11-8-12-28(22-27)29-19-20-35-37(23-29)40-36-18-6-5-17-34(36)38(35)32-15-3-1-13-30(32)31-14-2-4-16-33(31)38;39-24-25-16-18-26(19-17-25)27-8-7-9-28(22-27)29-20-21-35-37(23-29)40-36-15-6-5-14-34(36)38(35)32-12-3-1-10-30(32)31-11-2-4-13-33(31)38/h1-28H;1-28H;1-26H;2*1-23H
InChIKeyLYPSOVDHIKLBIY-UHFFFAOYSA-N
MW2819.36 g/mol
LogP51.24
Rot. Bonds12

About 2-phenyl-1-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline

2-phenyl-1-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline (PubChem CID 159494540) has the molecular formula C208H128N8O5 and a molecular weight of 2819.36 g/mol. Its IUPAC name is 2-phenyl-1-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-1-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline
PubChem CID159494540
Molecular FormulaC208H128N8O5
Molecular Weight2819.36 g/mol
Exact Mass2817.00
IUPAC Name2-phenyl-1-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline
SMILESN#Cc1ccc(-c2cccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.N#Cc1cccc(-c2cccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)c1.c1cc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccccc32)cc(-c2ccc3ccc4cccnc4c3n2)c1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)c3ccccc3n2)cc1.c1ccc(-c2nc3ccccc3n2-c2cccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C45H28N2O.C44H28N2O.C43H26N2O.2C38H23NO/c1-2-13-29(14-3-1)44-46-40-23-10-6-19-35(40)43(47-44)32-16-12-15-30(27-32)31-25-26-39-42(28-31)48-41-24-11-9-22-38(41)45(39)36-20-7-4-17-33(36)34-18-5-8-21-37(34)45;1-2-13-29(14-3-1)43-45-39-22-9-10-23-40(39)46(43)32-16-12-15-30(27-32)31-25-26-38-42(28-31)47-41-24-11-8-21-37(41)44(38)35-19-6-4-17-33(35)34-18-5-7-20-36(34)44;1-3-14-34-32(12-1)33-13-2-4-15-35(33)43(34)36-16-5-6-17-39(36)46-40-26-30(20-22-37(40)43)29-9-7-10-31(25-29)38-23-21-28-19-18-27-11-8-24-44-41(27)42(28)45-38;39-24-25-9-7-10-26(21-25)27-11-8-12-28(22-27)29-19-20-35-37(23-29)40-36-18-6-5-17-34(36)38(35)32-15-3-1-13-30(32)31-14-2-4-16-33(31)38;39-24-25-16-18-26(19-17-25)27-8-7-9-28(22-27)29-20-21-35-37(23-29)40-36-15-6-5-14-34(36)38(35)32-12-3-1-10-30(32)31-11-2-4-13-33(31)38/h1-28H;1-28H;1-26H;2*1-23H
InChIKeyLYPSOVDHIKLBIY-UHFFFAOYSA-N
XLogP51.24
TPSA163.11 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002819.36
LogP ≤ 551.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-phenyl-1-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline with MolForge

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Related Compounds

3'-diphenylphosphorylspiro[fluorene-9,9'-xanthene];1-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;4-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;3-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline
CID 159247096
1-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzimidazole;2-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)quinazoline;4-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)quinazoline;2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,10-phenanthroline
CID 160735096
7-[4'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,10-phenanthroline
CID 146343300
4-[7-(2-phenylbenzimidazol-1-yl)spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile
CID 155157095
6-[2'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-2-carbonitrile
CID 155157107
3-[4-(9-spiro[fluorene-9,9'-xanthene]-3'-yl-1,10-phenanthrolin-5-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile
CID 166734094
3-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyridazine;2-phenyl-4-[3-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]quinazoline;4-phenyl-2-[4-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]quinazoline;4-[2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]benzonitrile
CID 159360272
3-[4-(9-spiro[fluorene-9,9'-xanthene]-3'-yl-1,10-phenanthrolin-4-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile
CID 155476623
3-[4-[4-[3-[3'-(3-phenylquinoxalin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 163928419
4-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]benzonitrile
CID 155157496
3-[9-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,10-phenanthrolin-2-yl]benzonitrile
CID 146266520
6'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-carbonitrile
CID 146362571

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline?
The IUPAC name of 2-phenyl-1-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline (CID 159494540) is 2-phenyl-1-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-1-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-1-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline is N#Cc1ccc(-c2cccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.N#Cc1cccc(-c2cccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)c1.c1cc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccccc32)cc(-c2ccc3ccc4cccnc4c3n2)c1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)c3ccccc3n2)cc1.c1ccc(-c2nc3ccccc3n2-c2cccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 2-phenyl-1-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline?
The InChIKey is LYPSOVDHIKLBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O.C44H28N2O.C43H26N2O.2C38H23NO/c1-2-13-29(14-3-1)44-46-40-23-10-6-19-35(40)43(47-44)32-16-12-15-30(27-32)31-25-26-39-42(28-31)48-41-24-11-9-22-38(41)45(39)36-20-7-4-17-33(36)34-18-5-8-21-37(34)45;1-2-13-29(14-3-1)43-45-39-22-9-10-23-40(39)46(43)32-16-12-15-30(27-32)31-25-26-38-42(28-31)47-41-24-11-8-21-37(41)44(38)35-19-6-4-17-33(35)34-18-5-7-20-36(34)44;1-3-14-34-32(12-1)33-13-2-4-15-35(33)43(34)36-16-5-6-17-39(36)46-40-26-30(20-22-37(40)43)29-9-7-10-31(25-29)38-23-21-28-19-18-27-11-8-24-44-41(27)42(28)45-38;39-24-25-9-7-10-26(21-25)27-11-8-12-28(22-27)29-19-20-35-37(23-29)40-36-18-6-5-17-34(36)38(35)32-15-3-1-13-30(32)31-14-2-4-16-33(31)38;39-24-25-16-18-26(19-17-25)27-8-7-9-28(22-27)29-20-21-35-37(23-29)40-36-15-6-5-14-34(36)38(35)32-12-3-1-10-30(32)31-11-2-4-13-33(31)38/h1-28H;1-28H;1-26H;2*1-23H.
What are the key properties of 2-phenyl-1-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline?
2-phenyl-1-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline has a molecular weight of 2819.36 g/mol, XLogP of 51.24, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 159494540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).