2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)phenyl]pyrimidine

C165H102N6 — CID 158184457

About 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)phenyl]pyrimidine

2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)phenyl]pyrimidine (PubChem CID 158184457) has the molecular formula C165H102N6 and a molecular weight of 2168.67 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)phenyl]pyrimidine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)phenyl]pyrimidine
• PubChem CID: 158184457
• Molecular Formula: C165H102N6
• Molecular Weight: 2168.67 g/mol
• Exact Mass: 2166.82
• IUPAC Name: 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)phenyl]pyrimidine
• SMILES: c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C65c6cccc7ccc8cccc5c8c67)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc6c5-c5ccccc5C65c6cccc7ccc8cccc5c8c67)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6cccc7ccc8cccc5c8c67)c4)c3)n2)cc1
• InChI: InChI=1S/3C55H34N2/c1-3-14-35(15-4-1)49-34-50(57-54(56-49)38-16-5-2-6-17-38)42-23-10-21-40(33-42)39-20-9-22-41(32-39)43-25-13-29-48-53(43)44-24-7-8-26-45(44)55(48)46-27-11-18-36-30-31-37-19-12-28-47(55)52(37)51(36)46;1-3-13-35(14-4-1)50-34-51(57-54(56-50)38-15-5-2-6-16-38)43-22-10-21-41(32-43)39-19-9-20-40(31-39)42-29-30-47-45(33-42)44-23-7-8-24-46(44)55(47)48-25-11-17-36-27-28-37-18-12-26-49(55)53(37)52(36)48;1-3-13-35(14-4-1)50-34-51(36-15-5-2-6-16-36)57-54(56-50)43-22-10-21-41(32-43)39-19-9-20-40(31-39)42-29-30-45-44-23-7-8-24-46(44)55(49(45)33-42)47-25-11-17-37-27-28-38-18-12-26-48(55)53(38)52(37)47/h3*1-34H
• InChIKey: FYZAUCDMNCNQTK-UHFFFAOYSA-N
• XLogP: 41.38
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2168.67
LogP ≤ 5	41.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)phenyl]pyrimidine?

The IUPAC name of 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)phenyl]pyrimidine (CID 158184457) is 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)phenyl]pyrimidine.

What is the SMILES notation for 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)phenyl]pyrimidine?

The canonical SMILES for 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)phenyl]pyrimidine is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C65c6cccc7ccc8cccc5c8c67)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc6c5-c5ccccc5C65c6cccc7ccc8cccc5c8c67)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6cccc7ccc8cccc5c8c67)c4)c3)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)phenyl]pyrimidine?

The InChIKey is FYZAUCDMNCNQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C55H34N2/c1-3-14-35(15-4-1)49-34-50(57-54(56-49)38-16-5-2-6-17-38)42-23-10-21-40(33-42)39-20-9-22-41(32-39)43-25-13-29-48-53(43)44-24-7-8-26-45(44)55(48)46-27-11-18-36-30-31-37-19-12-28-47(55)52(37)51(36)46;1-3-13-35(14-4-1)50-34-51(57-54(56-50)38-15-5-2-6-16-38)43-22-10-21-41(32-43)39-19-9-20-40(31-39)42-29-30-47-45(33-42)44-23-7-8-24-46(44)55(47)48-25-11-17-36-27-28-37-18-12-26-49(55)53(37)52(36)48;1-3-13-35(14-4-1)50-34-51(36-15-5-2-6-16-36)57-54(56-50)43-22-10-21-41(32-43)39-19-9-20-40(31-39)42-29-30-45-44-23-7-8-24-46(44)55(49(45)33-42)47-25-11-17-37-27-28-38-18-12-26-48(55)53(38)52(37)47/h3*1-34H.

What are the key properties of 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)phenyl]pyrimidine?

2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)phenyl]pyrimidine has a molecular weight of 2168.67 g/mol, XLogP of 41.38, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 158184457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).