2-[4-(2'-fluoro-18-phenylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-yl)phenyl]-4,6-diphenylpyrimidine

C65H37FN2O2 — CID 140939319

About 2-[4-(2'-fluoro-18-phenylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-yl)phenyl]-4,6-diphenylpyrimidine

2-[4-(2'-fluoro-18-phenylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-yl)phenyl]-4,6-diphenylpyrimidine (PubChem CID 140939319) has the molecular formula C65H37FN2O2 and a molecular weight of 897.02 g/mol. Its IUPAC name is 2-[4-(2'-fluoro-18-phenylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-yl)phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

• Compound Name: 2-[4-(2'-fluoro-18-phenylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-yl)phenyl]-4,6-diphenylpyrimidine
• PubChem CID: 140939319
• Molecular Formula: C65H37FN2O2
• Molecular Weight: 897.02 g/mol
• Exact Mass: 896.28
• IUPAC Name: 2-[4-(2'-fluoro-18-phenylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-yl)phenyl]-4,6-diphenylpyrimidine
• SMILES: Fc1ccc2c(c1)C1(c3ccccc3-2)c2cc(-c3ccccc3)c3c(oc4ccccc43)c2-c2c1cc(-c1ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc1)c1oc3ccccc3c21
• InChI: InChI=1S/C65H37FN2O2/c66-43-32-33-45-44-22-10-13-25-50(44)65(51(45)34-43)52-36-49(39-28-30-42(31-29-39)64-67-54(40-18-6-2-7-19-40)37-55(68-64)41-20-8-3-9-21-41)62-59(47-24-12-15-27-57(47)69-62)60(52)61-53(65)35-48(38-16-4-1-5-17-38)58-46-23-11-14-26-56(46)70-63(58)61/h1-37H
• InChIKey: WAXZAIIKIPXMFT-UHFFFAOYSA-N
• XLogP: 17.09
• TPSA: 52.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.02
LogP ≤ 5	17.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2'-fluoro-18-phenylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-yl)phenyl]-4,6-diphenylpyrimidine?

The IUPAC name of 2-[4-(2'-fluoro-18-phenylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-yl)phenyl]-4,6-diphenylpyrimidine (CID 140939319) is 2-[4-(2'-fluoro-18-phenylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-yl)phenyl]-4,6-diphenylpyrimidine.

What is the SMILES notation for 2-[4-(2'-fluoro-18-phenylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-yl)phenyl]-4,6-diphenylpyrimidine?

The canonical SMILES for 2-[4-(2'-fluoro-18-phenylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-yl)phenyl]-4,6-diphenylpyrimidine is Fc1ccc2c(c1)C1(c3ccccc3-2)c2cc(-c3ccccc3)c3c(oc4ccccc43)c2-c2c1cc(-c1ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc1)c1oc3ccccc3c21.

What is the InChIKey of 2-[4-(2'-fluoro-18-phenylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-yl)phenyl]-4,6-diphenylpyrimidine?

The InChIKey is WAXZAIIKIPXMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H37FN2O2/c66-43-32-33-45-44-22-10-13-25-50(44)65(51(45)34-43)52-36-49(39-28-30-42(31-29-39)64-67-54(40-18-6-2-7-19-40)37-55(68-64)41-20-8-3-9-21-41)62-59(47-24-12-15-27-57(47)69-62)60(52)61-53(65)35-48(38-16-4-1-5-17-38)58-46-23-11-14-26-56(46)70-63(58)61/h1-37H.

What are the key properties of 2-[4-(2'-fluoro-18-phenylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-yl)phenyl]-4,6-diphenylpyrimidine?

2-[4-(2'-fluoro-18-phenylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-yl)phenyl]-4,6-diphenylpyrimidine has a molecular weight of 897.02 g/mol, XLogP of 17.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2'-fluoro-18-phenylspiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene-15,9'-fluorene]-12-yl)phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 140939319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).