4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenylpyrimidine;methane

C169H126BCl3N6O2 — CID 157322065

IUPAC4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenylpyrimidine;methane
SMILESC.CC1(C)OB(c2cc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c2)OC1(C)C.Clc1cc(-c2ccccc2)nc(Cl)n1.Clc1nc(-c2ccccc2)cc(-c2cc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c2)n1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c3)n2)cc1
InChIInChI=1S/C58H40N2.C52H35ClN2.C48H41BO2.C10H6Cl2N2.CH4/c1-7-19-41(20-8-1)52-33-31-47(38-54(52)43-23-11-3-12-24-43)49-35-50(48-32-34-53(42-21-9-2-10-22-42)55(39-48)44-25-13-4-14-26-44)37-51(36-49)58-59-56(45-27-15-5-16-28-45)40-57(60-58)46-29-17-6-18-30-46;53-52-54-50(40-24-14-5-15-25-40)35-51(55-52)45-31-43(41-26-28-46(36-16-6-1-7-17-36)48(33-41)38-20-10-3-11-21-38)30-44(32-45)42-27-29-47(37-18-8-2-9-19-37)49(34-42)39-22-12-4-13-23-39;1-47(2)48(3,4)51-49(50-47)42-30-40(38-25-27-43(34-17-9-5-10-18-34)45(32-38)36-21-13-7-14-22-36)29-41(31-42)39-26-28-44(35-19-11-6-12-20-35)46(33-39)37-23-15-8-16-24-37;11-9-6-8(13-10(12)14-9)7-4-2-1-3-5-7;/h1-40H;1-35H;5-33H,1-4H3;1-6H;1H4
InChIKeyBEGZMDDZVCCNEC-UHFFFAOYSA-N
MW2390.08 g/mol
LogP46.02
Rot. Bonds25

About 4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenylpyrimidine;methane

4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenylpyrimidine;methane (PubChem CID 157322065) has the molecular formula C169H126BCl3N6O2 and a molecular weight of 2390.08 g/mol. Its IUPAC name is 4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenylpyrimidine;methane.

Molecular Properties

Compound Name4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenylpyrimidine;methane
PubChem CID157322065
Molecular FormulaC169H126BCl3N6O2
Molecular Weight2390.08 g/mol
Exact Mass2386.91
IUPAC Name4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenylpyrimidine;methane
SMILESC.CC1(C)OB(c2cc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c2)OC1(C)C.Clc1cc(-c2ccccc2)nc(Cl)n1.Clc1nc(-c2ccccc2)cc(-c2cc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c2)n1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c3)n2)cc1
InChIInChI=1S/C58H40N2.C52H35ClN2.C48H41BO2.C10H6Cl2N2.CH4/c1-7-19-41(20-8-1)52-33-31-47(38-54(52)43-23-11-3-12-24-43)49-35-50(48-32-34-53(42-21-9-2-10-22-42)55(39-48)44-25-13-4-14-26-44)37-51(36-49)58-59-56(45-27-15-5-16-28-45)40-57(60-58)46-29-17-6-18-30-46;53-52-54-50(40-24-14-5-15-25-40)35-51(55-52)45-31-43(41-26-28-46(36-16-6-1-7-17-36)48(33-41)38-20-10-3-11-21-38)30-44(32-45)42-27-29-47(37-18-8-2-9-19-37)49(34-42)39-22-12-4-13-23-39;1-47(2)48(3,4)51-49(50-47)42-30-40(38-25-27-43(34-17-9-5-10-18-34)45(32-38)36-21-13-7-14-22-36)29-41(31-42)39-26-28-44(35-19-11-6-12-20-35)46(33-39)37-23-15-8-16-24-37;11-9-6-8(13-10(12)14-9)7-4-2-1-3-5-7;/h1-40H;1-35H;5-33H,1-4H3;1-6H;1H4
InChIKeyBEGZMDDZVCCNEC-UHFFFAOYSA-N
XLogP46.02
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms181
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002390.08
LogP ≤ 546.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenylpyrimidine;methane with MolForge

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Related Compounds

4-(4-Fluorophenyl)-2-(4-phenylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 141762009
2-(7-Chloronaphthalen-2-yl)-9,9-difluorofluorene;4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 157108146
(7-Borono-9,9-difluorofluoren-2-yl)boronic acid;4-chloro-2,6-diphenylpyrimidine;4-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-2,6-diphenylpyrimidine
CID 157626961
2-(4-Chloronaphthalen-1-yl)-9,9-difluorofluorene;4-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 158442215
2-(6-Chloro-9,9-difluorofluoren-3-yl)-4,6-diphenylpyridine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine
CID 159688455
2-Chloro-4,6-diphenylpyrimidine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenylpyrimidine;4,4,5,5-tetramethyl-2-[4-[1,1,1-trifluoro-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane
CID 160453245
4-Chloro-2,6-diphenylpyrimidine;4-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-2,6-diphenylpyrimidine;2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161098357
2-Chloro-4,6-diphenylpyrimidine;4-chloro-2,6-diphenylpyrimidine;2-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine;bis(2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine);2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161851931
2-Chloro-4,6-diphenylpyrimidine;2-[3-(4,6-diphenylpyrimidin-2-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine;2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162041426
2-(4-Tert-butylphenyl)-4-[4-[5-[4-[4-(4-tert-butylphenyl)-6-[5-(4,6-diphenylpyrimidin-2-yl)-2-fluorophenyl]-1,3,5-triazin-2-yl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-6-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 173785210
2-[5-Chloro-3-(4,6-dimethylpyrimidin-2-yl)-2-(1,3,2-dioxaborolan-2-yl)phenyl]-4,6-dimethylpyrimidine
CID 53231095
2-[3-[3-[3-[2-[3-[3-[3-(2,5-Dimethylphenyl)phenyl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 57789537

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenylpyrimidine;methane?
The IUPAC name of 4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenylpyrimidine;methane (CID 157322065) is 4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenylpyrimidine;methane.
What is the SMILES notation for 4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenylpyrimidine;methane?
The canonical SMILES for 4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenylpyrimidine;methane is C.CC1(C)OB(c2cc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c2)OC1(C)C.Clc1cc(-c2ccccc2)nc(Cl)n1.Clc1nc(-c2ccccc2)cc(-c2cc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc(-c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c2)n1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c3)n2)cc1.
What is the InChIKey of 4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenylpyrimidine;methane?
The InChIKey is BEGZMDDZVCCNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2.C52H35ClN2.C48H41BO2.C10H6Cl2N2.CH4/c1-7-19-41(20-8-1)52-33-31-47(38-54(52)43-23-11-3-12-24-43)49-35-50(48-32-34-53(42-21-9-2-10-22-42)55(39-48)44-25-13-4-14-26-44)37-51(36-49)58-59-56(45-27-15-5-16-28-45)40-57(60-58)46-29-17-6-18-30-46;53-52-54-50(40-24-14-5-15-25-40)35-51(55-52)45-31-43(41-26-28-46(36-16-6-1-7-17-36)48(33-41)38-20-10-3-11-21-38)30-44(32-45)42-27-29-47(37-18-8-2-9-19-37)49(34-42)39-22-12-4-13-23-39;1-47(2)48(3,4)51-49(50-47)42-30-40(38-25-27-43(34-17-9-5-10-18-34)45(32-38)36-21-13-7-14-22-36)29-41(31-42)39-26-28-44(35-19-11-6-12-20-35)46(33-39)37-23-15-8-16-24-37;11-9-6-8(13-10(12)14-9)7-4-2-1-3-5-7;/h1-40H;1-35H;5-33H,1-4H3;1-6H;1H4.
What are the key properties of 4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenylpyrimidine;methane?
4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenylpyrimidine;methane has a molecular weight of 2390.08 g/mol, XLogP of 46.02, 25 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(3,4-diphenylphenyl)phenyl]-2-chloro-6-phenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenylpyrimidine;methane is sourced from PubChem (CID 157322065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).