3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;oxolane

C118H120BBrN8O3 — CID 159150985

IUPAC3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;oxolane
SMILESC1CCOC1.CC(C)(C)c1cc(-c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3nc(-c4ccccc4-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)c2)cc(C(C)(C)C)c1.Cc1ccc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3nc(-c4ccccc4-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)c2)c(C)n1.Cc1ccc(Br)c(C)n1
InChIInChI=1S/C54H50N4.C53H54BN3O2.C7H8BrN.C4H8O/c1-35-27-28-45(36(2)55-35)41-29-39(40-32-43(53(3,4)5)34-44(33-40)54(6,7)8)30-42(31-41)50-56-51(48-25-17-15-23-46(48)37-19-11-9-12-20-37)58-52(57-50)49-26-18-16-24-47(49)38-21-13-10-14-22-38;1-50(2,3)40-30-38(31-41(34-40)51(4,5)6)37-29-39(33-42(32-37)54-58-52(7,8)53(9,10)59-54)47-55-48(45-27-19-17-25-43(45)35-21-13-11-14-22-35)57-49(56-47)46-28-20-18-26-44(46)36-23-15-12-16-24-36;1-5-3-4-7(8)6(2)9-5;1-2-4-5-3-1/h9-34H,1-8H3;11-34H,1-10H3;3-4H,1-2H3;1-4H2
InChIKeyKJHAMTBHYICURX-UHFFFAOYSA-N
MW1789.03 g/mol
LogP30.17
Rot. Bonds14

About 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;oxolane

3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;oxolane (PubChem CID 159150985) has the molecular formula C118H120BBrN8O3 and a molecular weight of 1789.03 g/mol. Its IUPAC name is 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;oxolane.

Molecular Properties

Compound Name3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;oxolane
PubChem CID159150985
Molecular FormulaC118H120BBrN8O3
Molecular Weight1789.03 g/mol
Exact Mass1786.88
IUPAC Name3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;oxolane
SMILESC1CCOC1.CC(C)(C)c1cc(-c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3nc(-c4ccccc4-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)c2)cc(C(C)(C)C)c1.Cc1ccc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3nc(-c4ccccc4-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)c2)c(C)n1.Cc1ccc(Br)c(C)n1
InChIInChI=1S/C54H50N4.C53H54BN3O2.C7H8BrN.C4H8O/c1-35-27-28-45(36(2)55-35)41-29-39(40-32-43(53(3,4)5)34-44(33-40)54(6,7)8)30-42(31-41)50-56-51(48-25-17-15-23-46(48)37-19-11-9-12-20-37)58-52(57-50)49-26-18-16-24-47(49)38-21-13-10-14-22-38;1-50(2,3)40-30-38(31-41(34-40)51(4,5)6)37-29-39(33-42(32-37)54-58-52(7,8)53(9,10)59-54)47-55-48(45-27-19-17-25-43(45)35-21-13-11-14-22-35)57-49(56-47)46-28-20-18-26-44(46)36-23-15-12-16-24-36;1-5-3-4-7(8)6(2)9-5;1-2-4-5-3-1/h9-34H,1-8H3;11-34H,1-10H3;3-4H,1-2H3;1-4H2
InChIKeyKJHAMTBHYICURX-UHFFFAOYSA-N
XLogP30.17
TPSA130.81 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001789.03
LogP ≤ 530.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;oxolane with MolForge

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Related Compounds

2-[4-(3,5-ditert-butylphenyl)phenyl]-4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 159606604
2-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine
CID 158198185
2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3,5-bis(3,4-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-bis(3-phenylphenyl)-1,3,5-triazine;methane;2,4,6-trichloro-1,3,5-triazine
CID 159043907
1-bromo-3,5-diphenylbenzene;2-(3,5-diphenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;oxolane;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
CID 161230817
2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine
CID 159359482
2-[3,5-bis(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140797005
2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 67985698
2-[3,5-bis(4-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123189589
2-[3-(3,5-diphenylphenyl)-5-(4-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140863932
2-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;4-bromo-2,6-dipyridin-2-ylpyridine
CID 157318775
1-(4-tert-butyl-2-phenylphenyl)-2-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 170983146
4,4,5,5-tetramethyl-2-[3-(2-phenylphenyl)phenyl]-1,3,2-dioxaborolane
CID 142728939

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;oxolane?
The IUPAC name of 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;oxolane (CID 159150985) is 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;oxolane.
What is the SMILES notation for 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;oxolane?
The canonical SMILES for 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;oxolane is C1CCOC1.CC(C)(C)c1cc(-c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3nc(-c4ccccc4-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)c2)cc(C(C)(C)C)c1.Cc1ccc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3nc(-c4ccccc4-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)c2)c(C)n1.Cc1ccc(Br)c(C)n1.
What is the InChIKey of 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;oxolane?
The InChIKey is KJHAMTBHYICURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H50N4.C53H54BN3O2.C7H8BrN.C4H8O/c1-35-27-28-45(36(2)55-35)41-29-39(40-32-43(53(3,4)5)34-44(33-40)54(6,7)8)30-42(31-41)50-56-51(48-25-17-15-23-46(48)37-19-11-9-12-20-37)58-52(57-50)49-26-18-16-24-47(49)38-21-13-10-14-22-38;1-50(2,3)40-30-38(31-41(34-40)51(4,5)6)37-29-39(33-42(32-37)54-58-52(7,8)53(9,10)59-54)47-55-48(45-27-19-17-25-43(45)35-21-13-11-14-22-35)57-49(56-47)46-28-20-18-26-44(46)36-23-15-12-16-24-36;1-5-3-4-7(8)6(2)9-5;1-2-4-5-3-1/h9-34H,1-8H3;11-34H,1-10H3;3-4H,1-2H3;1-4H2.
What are the key properties of 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;oxolane?
3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;oxolane has a molecular weight of 1789.03 g/mol, XLogP of 30.17, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,6-dimethylpyridine;2-[3-(3,5-ditert-butylphenyl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3,5-ditert-butylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;oxolane is sourced from PubChem (CID 159150985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).