4-chloro-2,6-diphenylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylpyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,2-dioxaborolane

C108H72BClN4O2 — CID 157217989

About 4-chloro-2,6-diphenylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylpyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,2-dioxaborolane

4-chloro-2,6-diphenylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylpyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,2-dioxaborolane (PubChem CID 157217989) has the molecular formula C108H72BClN4O2 and a molecular weight of 1504.05 g/mol. Its IUPAC name is 4-chloro-2,6-diphenylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylpyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4-chloro-2,6-diphenylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylpyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,2-dioxaborolane
• PubChem CID: 157217989
• Molecular Formula: C108H72BClN4O2
• Molecular Weight: 1504.05 g/mol
• Exact Mass: 1502.54
• IUPAC Name: 4-chloro-2,6-diphenylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylpyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)OC1(C)C.Clc1cc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3cc3c5c(cccc45)-c4ccccc4-3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C51H30N2.C41H31BO2.C16H11ClN2/c1-3-14-31(15-4-1)46-30-47(53-50(52-46)32-16-5-2-6-17-32)33-26-27-37-36-20-9-11-24-42(36)51(44(37)28-33)43-25-12-10-21-39(43)49-40-23-13-22-38-34-18-7-8-19-35(34)41(48(38)40)29-45(49)51;1-39(2)40(3,4)44-42(43-39)24-20-21-28-27-14-7-9-18-33(27)41(35(28)22-24)34-19-10-8-15-30(34)38-31-17-11-16-29-25-12-5-6-13-26(25)32(37(29)31)23-36(38)41;17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-30H;5-23H,1-4H3;1-11H
• InChIKey: ASQJYJDPCYDBBF-UHFFFAOYSA-N
• XLogP: 26.22
• TPSA: 70.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1504.05
LogP ≤ 5	26.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-diphenylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylpyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,2-dioxaborolane?

The IUPAC name of 4-chloro-2,6-diphenylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylpyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,2-dioxaborolane (CID 157217989) is 4-chloro-2,6-diphenylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylpyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,2-dioxaborolane.

What is the SMILES notation for 4-chloro-2,6-diphenylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylpyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,2-dioxaborolane?

The canonical SMILES for 4-chloro-2,6-diphenylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylpyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2cc2c4c(cccc34)-c3ccccc3-2)OC1(C)C.Clc1cc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3cc3c5c(cccc45)-c4ccccc4-3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 4-chloro-2,6-diphenylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylpyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,2-dioxaborolane?

The InChIKey is ASQJYJDPCYDBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N2.C41H31BO2.C16H11ClN2/c1-3-14-31(15-4-1)46-30-47(53-50(52-46)32-16-5-2-6-17-32)33-26-27-37-36-20-9-11-24-42(36)51(44(37)28-33)43-25-12-10-21-39(43)49-40-23-13-22-38-34-18-7-8-19-35(34)41(48(38)40)29-45(49)51;1-39(2)40(3,4)44-42(43-39)24-20-21-28-27-14-7-9-18-33(27)41(35(28)22-24)34-19-10-8-15-30(34)38-31-17-11-16-29-25-12-5-6-13-26(25)32(37(29)31)23-36(38)41;17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-30H;5-23H,1-4H3;1-11H.

What are the key properties of 4-chloro-2,6-diphenylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylpyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,2-dioxaborolane?

4-chloro-2,6-diphenylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylpyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,2-dioxaborolane has a molecular weight of 1504.05 g/mol, XLogP of 26.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2,6-diphenylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylpyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 157217989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).