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

C177H110N8O4 — CID 160735096

IUPAC1-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
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)c3ccccc3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)nc3ccccc23)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)nc3ccccc32)cc1.c1ccc2c(c1)Oc1ccc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/2C45H28N2O.C44H28N2O.C43H26N2O/c1-2-12-31(13-3-1)44-46-40-20-10-6-16-35(40)43(47-44)30-24-22-29(23-25-30)32-26-27-42-39(28-32)45(38-19-9-11-21-41(38)48-42)36-17-7-4-14-33(36)34-15-5-8-18-37(34)45;1-2-12-30(13-3-1)43-35-16-6-10-20-40(35)46-44(47-43)31-24-22-29(23-25-31)32-26-27-42-39(28-32)45(38-19-9-11-21-41(38)48-42)36-17-7-4-14-33(36)34-15-5-8-18-37(34)45;1-2-12-32(13-3-1)46-40-20-10-9-19-39(40)45-43(46)30-24-22-29(23-25-30)31-26-27-42-38(28-31)44(37-18-8-11-21-41(37)47-42)35-16-6-4-14-33(35)34-15-5-7-17-36(34)44;1-3-11-34-32(9-1)33-10-2-4-12-35(33)43(34)36-13-5-6-14-39(36)46-40-24-22-31(26-37(40)43)27-15-17-28(18-16-27)38-23-21-30-20-19-29-8-7-25-44-41(29)42(30)45-38/h2*1-28H;1-28H;1-26H
InChIKeyRUVPOHUHIRAKSO-UHFFFAOYSA-N
MW2412.88 g/mol
LogP43.61
Rot. Bonds11

About 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

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 (PubChem CID 160735096) has the molecular formula C177H110N8O4 and a molecular weight of 2412.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID160735096
Molecular FormulaC177H110N8O4
Molecular Weight2412.88 g/mol
Exact Mass2410.87
IUPAC Name1-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
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)c3ccccc3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)nc3ccccc23)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)nc3ccccc32)cc1.c1ccc2c(c1)Oc1ccc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/2C45H28N2O.C44H28N2O.C43H26N2O/c1-2-12-31(13-3-1)44-46-40-20-10-6-16-35(40)43(47-44)30-24-22-29(23-25-30)32-26-27-42-39(28-32)45(38-19-9-11-21-41(38)48-42)36-17-7-4-14-33(36)34-15-5-8-18-37(34)45;1-2-12-30(13-3-1)43-35-16-6-10-20-40(35)46-44(47-43)31-24-22-29(23-25-31)32-26-27-42-39(28-32)45(38-19-9-11-21-41(38)48-42)36-17-7-4-14-33(36)34-15-5-8-18-37(34)45;1-2-12-32(13-3-1)46-40-20-10-9-19-39(40)45-43(46)30-24-22-29(23-25-30)31-26-27-42-38(28-31)44(37-18-8-11-21-41(37)47-42)35-16-6-4-14-33(35)34-15-5-7-17-36(34)44;1-3-11-34-32(9-1)33-10-2-4-12-35(33)43(34)36-13-5-6-14-39(36)46-40-24-22-31(26-37(40)43)27-15-17-28(18-16-27)38-23-21-30-20-19-29-8-7-25-44-41(29)42(30)45-38/h2*1-28H;1-28H;1-26H
InChIKeyRUVPOHUHIRAKSO-UHFFFAOYSA-N
XLogP43.61
TPSA132.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002412.88
LogP ≤ 543.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)quinazoline
CID 139306744
4-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)quinazoline
CID 139306700
1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]benzimidazole
CID 164783663
1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole
CID 118688226
CID 146184411
CID 146184411
19-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene];14-phenyl-19-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]
CID 165062149
2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 156528656
2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline
CID 158500862
14-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-xanthene];14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-xanthene]
CID 165058245

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)c3ccccc3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)nc3ccccc23)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)nc3ccccc32)cc1.c1ccc2c(c1)Oc1ccc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 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?
The InChIKey is RUVPOHUHIRAKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H28N2O.C44H28N2O.C43H26N2O/c1-2-12-31(13-3-1)44-46-40-20-10-6-16-35(40)43(47-44)30-24-22-29(23-25-30)32-26-27-42-39(28-32)45(38-19-9-11-21-41(38)48-42)36-17-7-4-14-33(36)34-15-5-8-18-37(34)45;1-2-12-30(13-3-1)43-35-16-6-10-20-40(35)46-44(47-43)31-24-22-29(23-25-31)32-26-27-42-39(28-32)45(38-19-9-11-21-41(38)48-42)36-17-7-4-14-33(36)34-15-5-8-18-37(34)45;1-2-12-32(13-3-1)46-40-20-10-9-19-39(40)45-43(46)30-24-22-29(23-25-30)31-26-27-42-38(28-31)44(37-18-8-11-21-41(37)47-42)35-16-6-4-14-33(35)34-15-5-7-17-36(34)44;1-3-11-34-32(9-1)33-10-2-4-12-35(33)43(34)36-13-5-6-14-39(36)46-40-24-22-31(26-37(40)43)27-15-17-28(18-16-27)38-23-21-30-20-19-29-8-7-25-44-41(29)42(30)45-38/h2*1-28H;1-28H;1-26H.
What are the key properties of 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?
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 has a molecular weight of 2412.88 g/mol, XLogP of 43.61, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160735096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).