2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline

C211H127N9 — CID 157145812

About 2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline

2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline (PubChem CID 157145812) has the molecular formula C211H127N9 and a molecular weight of 2788.40 g/mol. Its IUPAC name is 2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline
• PubChem CID: 157145812
• Molecular Formula: C211H127N9
• Molecular Weight: 2788.40 g/mol
• Exact Mass: 2786.02
• IUPAC Name: 2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline
• SMILES: c1cc(-c2ccc3ccc4cccnc4c3n2)cc(-c2cc3c(c4ccccc24)-c2cc4ccccc4cc2C32c3ccccc3-c3ccccc32)c1.c1ccc(-c2cc(-c3cccc(-c4cc5c(c6ccccc46)-c4cc6ccccc6cc4C54c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc3c(c4ccccc24)-c2cc4ccccc4cc2C32c3ccccc3-c3ccccc32)c(-c2ccc3ccc4cccnc4c3n2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5c(c6ccccc46)-c4cc6ccccc6cc4C54c5ccccc5-c5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C55H34N2.C54H33N3.2C51H30N2/c1-3-16-35(17-4-1)51-34-52(57-54(56-51)36-18-5-2-6-19-36)40-23-15-22-39(30-40)45-33-50-53(44-27-10-9-24-41(44)45)46-31-37-20-7-8-21-38(37)32-49(46)55(50)47-28-13-11-25-42(47)43-26-12-14-29-48(43)55;1-3-16-34(17-4-1)51-55-52(35-18-5-2-6-19-35)57-53(56-51)39-23-15-22-38(30-39)44-33-49-50(43-27-10-9-24-40(43)44)45-31-36-20-7-8-21-37(36)32-48(45)54(49)46-28-13-11-25-41(46)42-26-12-14-29-47(42)54;1-2-13-34-29-45-42(28-33(34)12-1)48-40-20-6-4-16-36(40)41(30-46(48)51(45)43-21-9-7-17-37(43)38-18-8-10-22-44(38)51)35-15-3-5-19-39(35)47-26-25-32-24-23-31-14-11-27-52-49(31)50(32)53-47;1-2-12-34-29-45-42(28-33(34)11-1)48-40-19-4-3-16-37(40)41(30-46(48)51(45)43-20-7-5-17-38(43)39-18-6-8-21-44(39)51)35-13-9-14-36(27-35)47-25-24-32-23-22-31-15-10-26-52-49(31)50(32)53-47/h1-34H;1-33H;2*1-30H
• InChIKey: AKROUOMSIIUYDO-UHFFFAOYSA-N
• XLogP: 52.52
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2788.40
LogP ≤ 5	52.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline?

The IUPAC name of 2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline (CID 157145812) is 2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline.

What is the SMILES notation for 2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline?

The canonical SMILES for 2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline is c1cc(-c2ccc3ccc4cccnc4c3n2)cc(-c2cc3c(c4ccccc24)-c2cc4ccccc4cc2C32c3ccccc3-c3ccccc32)c1.c1ccc(-c2cc(-c3cccc(-c4cc5c(c6ccccc46)-c4cc6ccccc6cc4C54c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc3c(c4ccccc24)-c2cc4ccccc4cc2C32c3ccccc3-c3ccccc32)c(-c2ccc3ccc4cccnc4c3n2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5c(c6ccccc46)-c4cc6ccccc6cc4C54c5ccccc5-c5ccccc54)c3)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline?

The InChIKey is AKROUOMSIIUYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2.C54H33N3.2C51H30N2/c1-3-16-35(17-4-1)51-34-52(57-54(56-51)36-18-5-2-6-19-36)40-23-15-22-39(30-40)45-33-50-53(44-27-10-9-24-41(44)45)46-31-37-20-7-8-21-38(37)32-49(46)55(50)47-28-13-11-25-42(47)43-26-12-14-29-48(43)55;1-3-16-34(17-4-1)51-55-52(35-18-5-2-6-19-35)57-53(56-51)39-23-15-22-38(30-39)44-33-49-50(43-27-10-9-24-40(43)44)45-31-36-20-7-8-21-37(36)32-48(45)54(49)46-28-13-11-25-41(46)42-26-12-14-29-47(42)54;1-2-13-34-29-45-42(28-33(34)12-1)48-40-20-6-4-16-36(40)41(30-46(48)51(45)43-21-9-7-17-37(43)38-18-8-10-22-44(38)51)35-15-3-5-19-39(35)47-26-25-32-24-23-31-14-11-27-52-49(31)50(32)53-47;1-2-12-34-29-45-42(28-33(34)11-1)48-40-19-4-3-16-37(40)41(30-46(48)51(45)43-20-7-5-17-38(43)39-18-6-8-21-44(39)51)35-13-9-14-36(27-35)47-25-24-32-23-22-31-15-10-26-52-49(31)50(32)53-47/h1-34H;1-33H;2*1-30H.

What are the key properties of 2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline?

2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline has a molecular weight of 2788.40 g/mol, XLogP of 52.52, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,3,5-triazine;2-(2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline;2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-ylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 157145812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).