2-(4-chlorophenyl)-4,6-diphenylpyrimidine;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;9-(4-chlorophenyl)-9-(4-iodophenyl)fluorene;(4-cyanophenyl)boronic acid;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C136H113B4Cl3IN5O8 — CID 157170478

IUPAC2-(4-chlorophenyl)-4,6-diphenylpyrimidine;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;9-(4-chlorophenyl)-9-(4-iodophenyl)fluorene;(4-cyanophenyl)boronic acid;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(C3(c4ccc(-c5ccc(C#N)cc5)cc4)c4ccccc4-c4ccccc43)cc2)OC1(C)C.Clc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Clc1ccc(C2(c3ccc(I)cc3)c3ccccc3-c3ccccc32)cc1.N#Cc1ccc(-c2ccc(C3(c4ccc(Cl)cc4)c4ccccc4-c4ccccc43)cc2)cc1.N#Cc1ccc(B(O)O)cc1
InChIInChI=1S/C38H32BNO2.C32H20ClN.C25H16ClI.C22H15ClN2.C12H24B2O4.C7H6BNO2/c1-36(2)37(3,4)42-39(41-36)31-23-21-30(22-24-31)38(34-11-7-5-9-32(34)33-10-6-8-12-35(33)38)29-19-17-28(18-20-29)27-15-13-26(25-40)14-16-27;33-27-19-17-26(18-20-27)32(30-7-3-1-5-28(30)29-6-2-4-8-31(29)32)25-15-13-24(14-16-25)23-11-9-22(21-34)10-12-23;26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;23-19-13-11-18(12-14-19)22-24-20(16-7-3-1-4-8-16)15-21(25-22)17-9-5-2-6-10-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-5-6-1-3-7(4-2-6)8(10)11/h5-24H,1-4H3;1-20H;1-16H;1-15H;1-8H3;1-4,10-11H
InChIKeyANKFSDPQJWAGKC-UHFFFAOYSA-N
MW2221.94 g/mol
LogP31.06
Rot. Bonds14

About 2-(4-chlorophenyl)-4,6-diphenylpyrimidine;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;9-(4-chlorophenyl)-9-(4-iodophenyl)fluorene;(4-cyanophenyl)boronic acid;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-(4-chlorophenyl)-4,6-diphenylpyrimidine;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;9-(4-chlorophenyl)-9-(4-iodophenyl)fluorene;(4-cyanophenyl)boronic acid;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157170478) has the molecular formula C136H113B4Cl3IN5O8 and a molecular weight of 2221.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4,6-diphenylpyrimidine;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;9-(4-chlorophenyl)-9-(4-iodophenyl)fluorene;(4-cyanophenyl)boronic acid;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4,6-diphenylpyrimidine;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;9-(4-chlorophenyl)-9-(4-iodophenyl)fluorene;(4-cyanophenyl)boronic acid;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID157170478
Molecular FormulaC136H113B4Cl3IN5O8
Molecular Weight2221.94 g/mol
Exact Mass2219.71
IUPAC Name2-(4-chlorophenyl)-4,6-diphenylpyrimidine;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;9-(4-chlorophenyl)-9-(4-iodophenyl)fluorene;(4-cyanophenyl)boronic acid;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(C3(c4ccc(-c5ccc(C#N)cc5)cc4)c4ccccc4-c4ccccc43)cc2)OC1(C)C.Clc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Clc1ccc(C2(c3ccc(I)cc3)c3ccccc3-c3ccccc32)cc1.N#Cc1ccc(-c2ccc(C3(c4ccc(Cl)cc4)c4ccccc4-c4ccccc43)cc2)cc1.N#Cc1ccc(B(O)O)cc1
InChIInChI=1S/C38H32BNO2.C32H20ClN.C25H16ClI.C22H15ClN2.C12H24B2O4.C7H6BNO2/c1-36(2)37(3,4)42-39(41-36)31-23-21-30(22-24-31)38(34-11-7-5-9-32(34)33-10-6-8-12-35(33)38)29-19-17-28(18-20-29)27-15-13-26(25-40)14-16-27;33-27-19-17-26(18-20-27)32(30-7-3-1-5-28(30)29-6-2-4-8-31(29)32)25-15-13-24(14-16-25)23-11-9-22(21-34)10-12-23;26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;23-19-13-11-18(12-14-19)22-24-20(16-7-3-1-4-8-16)15-21(25-22)17-9-5-2-6-10-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-5-6-1-3-7(4-2-6)8(10)11/h5-24H,1-4H3;1-20H;1-16H;1-15H;1-8H3;1-4,10-11H
InChIKeyANKFSDPQJWAGKC-UHFFFAOYSA-N
XLogP31.06
TPSA192.99 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002221.94
LogP ≤ 531.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-4,6-diphenylpyrimidine;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;9-(4-chlorophenyl)-9-(4-iodophenyl)fluorene;(4-cyanophenyl)boronic acid;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-chloro-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-(4-chlorophenyl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;(3-cyanophenyl)boronic acid;3-[4-[4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,3,2-dioxaborolane
CID 160800835
2-chloro-4,6-diphenyl-1,3,5-triazine;7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-carbonitrile;7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-carbonitrile
CID 159038494
2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 59188592
5-bromo-2-chlorospiro[fluorene-9,9'-thioxanthene];4-(7-chlorospiro[fluorene-9,9'-thioxanthene]-4-yl)benzonitrile;(4-cyanophenyl)boronic acid;4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[fluorene-9,9'-thioxanthene]-4-yl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159702515
4-[2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]benzonitrile
CID 155767757
4-[3-[9-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]benzonitrile
CID 146539220
4-phenyl-6-(3-phenylphenyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 140797020
2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164817103
2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 160663263
2-[4-(3-chlorophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine;4,4,5,5-tetramethyl-2-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1,3,2-dioxaborolane
CID 158375785
4-[4-[6-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]benzonitrile
CID 146539200
4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-4-yl]benzonitrile
CID 155765165

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4,6-diphenylpyrimidine;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;9-(4-chlorophenyl)-9-(4-iodophenyl)fluorene;(4-cyanophenyl)boronic acid;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 2-(4-chlorophenyl)-4,6-diphenylpyrimidine;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;9-(4-chlorophenyl)-9-(4-iodophenyl)fluorene;(4-cyanophenyl)boronic acid;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157170478) is 2-(4-chlorophenyl)-4,6-diphenylpyrimidine;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;9-(4-chlorophenyl)-9-(4-iodophenyl)fluorene;(4-cyanophenyl)boronic acid;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4-chlorophenyl)-4,6-diphenylpyrimidine;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;9-(4-chlorophenyl)-9-(4-iodophenyl)fluorene;(4-cyanophenyl)boronic acid;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4-chlorophenyl)-4,6-diphenylpyrimidine;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;9-(4-chlorophenyl)-9-(4-iodophenyl)fluorene;(4-cyanophenyl)boronic acid;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(C3(c4ccc(-c5ccc(C#N)cc5)cc4)c4ccccc4-c4ccccc43)cc2)OC1(C)C.Clc1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Clc1ccc(C2(c3ccc(I)cc3)c3ccccc3-c3ccccc32)cc1.N#Cc1ccc(-c2ccc(C3(c4ccc(Cl)cc4)c4ccccc4-c4ccccc43)cc2)cc1.N#Cc1ccc(B(O)O)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4,6-diphenylpyrimidine;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;9-(4-chlorophenyl)-9-(4-iodophenyl)fluorene;(4-cyanophenyl)boronic acid;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is ANKFSDPQJWAGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32BNO2.C32H20ClN.C25H16ClI.C22H15ClN2.C12H24B2O4.C7H6BNO2/c1-36(2)37(3,4)42-39(41-36)31-23-21-30(22-24-31)38(34-11-7-5-9-32(34)33-10-6-8-12-35(33)38)29-19-17-28(18-20-29)27-15-13-26(25-40)14-16-27;33-27-19-17-26(18-20-27)32(30-7-3-1-5-28(30)29-6-2-4-8-31(29)32)25-15-13-24(14-16-25)23-11-9-22(21-34)10-12-23;26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;23-19-13-11-18(12-14-19)22-24-20(16-7-3-1-4-8-16)15-21(25-22)17-9-5-2-6-10-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-5-6-1-3-7(4-2-6)8(10)11/h5-24H,1-4H3;1-20H;1-16H;1-15H;1-8H3;1-4,10-11H.
What are the key properties of 2-(4-chlorophenyl)-4,6-diphenylpyrimidine;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;9-(4-chlorophenyl)-9-(4-iodophenyl)fluorene;(4-cyanophenyl)boronic acid;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
2-(4-chlorophenyl)-4,6-diphenylpyrimidine;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;9-(4-chlorophenyl)-9-(4-iodophenyl)fluorene;(4-cyanophenyl)boronic acid;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2221.94 g/mol, XLogP of 31.06, 14 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4,6-diphenylpyrimidine;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;9-(4-chlorophenyl)-9-(4-iodophenyl)fluorene;(4-cyanophenyl)boronic acid;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 157170478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).