2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(9,9-dimethylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane

C101H116B4O8 — CID 165042923

IUPAC2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(9,9-dimethylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane
SMILESCC(C)(C)c1ccc(-c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3ccc(C(C)(C)C)cc3)c2)cc1.CC1(C)OB(c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)OC1(C)C.CC1(C)OB(c2cccc(-c3ccccc3)c2)OC1(C)C.CC1(C)c2ccccc2-c2c(B3OC(C)(C)C(C)(C)O3)cccc21
InChIInChI=1S/C32H41BO2.C30H29BO2.C21H25BO2.C18H21BO2/c1-29(2,3)26-15-11-22(12-16-26)24-19-25(23-13-17-27(18-14-23)30(4,5)6)21-28(20-24)33-34-31(7,8)32(9,10)35-33;1-29(2)30(3,4)33-31(32-29)28-17-11-16-24(21-28)27-19-25(22-12-7-5-8-13-22)18-26(20-27)23-14-9-6-10-15-23;1-19(2)15-11-8-7-10-14(15)18-16(19)12-9-13-17(18)22-23-20(3,4)21(5,6)24-22;1-17(2)18(3,4)21-19(20-17)16-12-8-11-15(13-16)14-9-6-5-7-10-14/h11-21H,1-10H3;5-21H,1-4H3;7-13H,1-6H3;5-13H,1-4H3
InChIKeyOKSGUKGYSULDKA-UHFFFAOYSA-N
MW1501.28 g/mol
LogP22.85
Rot. Bonds10

About 2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(9,9-dimethylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane

2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(9,9-dimethylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane (PubChem CID 165042923) has the molecular formula C101H116B4O8 and a molecular weight of 1501.28 g/mol. Its IUPAC name is 2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(9,9-dimethylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(9,9-dimethylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane
PubChem CID165042923
Molecular FormulaC101H116B4O8
Molecular Weight1501.28 g/mol
Exact Mass1500.90
IUPAC Name2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(9,9-dimethylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane
SMILESCC(C)(C)c1ccc(-c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3ccc(C(C)(C)C)cc3)c2)cc1.CC1(C)OB(c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)OC1(C)C.CC1(C)OB(c2cccc(-c3ccccc3)c2)OC1(C)C.CC1(C)c2ccccc2-c2c(B3OC(C)(C)C(C)(C)O3)cccc21
InChIInChI=1S/C32H41BO2.C30H29BO2.C21H25BO2.C18H21BO2/c1-29(2,3)26-15-11-22(12-16-26)24-19-25(23-13-17-27(18-14-23)30(4,5)6)21-28(20-24)33-34-31(7,8)32(9,10)35-33;1-29(2)30(3,4)33-31(32-29)28-17-11-16-24(21-28)27-19-25(22-12-7-5-8-13-22)18-26(20-27)23-14-9-6-10-15-23;1-19(2)15-11-8-7-10-14(15)18-16(19)12-9-13-17(18)22-23-20(3,4)21(5,6)24-22;1-17(2)18(3,4)21-19(20-17)16-12-8-11-15(13-16)14-9-6-5-7-10-14/h11-21H,1-10H3;5-21H,1-4H3;7-13H,1-6H3;5-13H,1-4H3
InChIKeyOKSGUKGYSULDKA-UHFFFAOYSA-N
XLogP22.85
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001501.28
LogP ≤ 522.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(9,9-dimethylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 153370184
2-[3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145436463
4,4,5,5-tetramethyl-2-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,2-dioxaborolane
CID 123477261
2-[3-(3,5-diphenylphenyl)-5-(3-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140796929
2-[3-(3,5-diphenylphenyl)-5-(4-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140863932
2-[3,5-bis(4-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123189589
2-[3,5-bis(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140797005
4,4,5,5-tetramethyl-2-[3-(2-phenylphenyl)phenyl]-1,3,2-dioxaborolane
CID 142728939
9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole;5-(3-phenylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]indeno[1,2-f][1,3]benzodioxole
CID 164977187
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-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
2-phenyl-4-(3-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 140815451

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(9,9-dimethylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane?
The IUPAC name of 2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(9,9-dimethylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane (CID 165042923) is 2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(9,9-dimethylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(9,9-dimethylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane?
The canonical SMILES for 2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(9,9-dimethylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane is CC(C)(C)c1ccc(-c2cc(B3OC(C)(C)C(C)(C)O3)cc(-c3ccc(C(C)(C)C)cc3)c2)cc1.CC1(C)OB(c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)OC1(C)C.CC1(C)OB(c2cccc(-c3ccccc3)c2)OC1(C)C.CC1(C)c2ccccc2-c2c(B3OC(C)(C)C(C)(C)O3)cccc21.
What is the InChIKey of 2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(9,9-dimethylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane?
The InChIKey is OKSGUKGYSULDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41BO2.C30H29BO2.C21H25BO2.C18H21BO2/c1-29(2,3)26-15-11-22(12-16-26)24-19-25(23-13-17-27(18-14-23)30(4,5)6)21-28(20-24)33-34-31(7,8)32(9,10)35-33;1-29(2)30(3,4)33-31(32-29)28-17-11-16-24(21-28)27-19-25(22-12-7-5-8-13-22)18-26(20-27)23-14-9-6-10-15-23;1-19(2)15-11-8-7-10-14(15)18-16(19)12-9-13-17(18)22-23-20(3,4)21(5,6)24-22;1-17(2)18(3,4)21-19(20-17)16-12-8-11-15(13-16)14-9-6-5-7-10-14/h11-21H,1-10H3;5-21H,1-4H3;7-13H,1-6H3;5-13H,1-4H3.
What are the key properties of 2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(9,9-dimethylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane?
2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(9,9-dimethylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane has a molecular weight of 1501.28 g/mol, XLogP of 22.85, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(9,9-dimethylfluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(3,5-diphenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 165042923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).