2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-tert-butylnaphthalen-2-yl)-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine;2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine

C94H76BClF6N2O2 — CID 167589787

IUPAC2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-tert-butylnaphthalen-2-yl)-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine;2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c(C(F)(F)F)cn2)cc2ccccc12.CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc2ccccc12.FC(F)(F)c1cnc(Cl)cc1-c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2
InChIInChI=1S/C44H32F3N.C30H17ClF3N.C20H27BO2/c1-43(2,3)40-24-29(22-27-12-4-5-13-30(27)40)42-25-38(41(26-48-42)44(45,46)47)28-20-21-37-35-18-9-8-16-33(35)31-14-6-7-15-32(31)34-17-10-11-19-36(34)39(37)23-28;31-29-16-26(28(17-35-29)30(32,33)34)18-13-14-25-23-11-4-3-9-21(23)19-7-1-2-8-20(19)22-10-5-6-12-24(22)27(25)15-18;1-18(2,3)17-13-15(12-14-10-8-9-11-16(14)17)21-22-19(4,5)20(6,7)23-21/h4-26H,1-3H3;1-17H;8-13H,1-7H3/b33-31-,34-32-,37-35-,39-36-;21-19-,22-20-,25-23-,27-24-;
InChIKeyIHAUHYQWSKZPJP-OOOICYANSA-N
MW1425.91 g/mol
LogP26.71
Rot. Bonds4

About 2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-tert-butylnaphthalen-2-yl)-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine;2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine

2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-tert-butylnaphthalen-2-yl)-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine;2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 167589787) has the molecular formula C94H76BClF6N2O2 and a molecular weight of 1425.91 g/mol. Its IUPAC name is 2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-tert-butylnaphthalen-2-yl)-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine;2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-tert-butylnaphthalen-2-yl)-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine;2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine
PubChem CID167589787
Molecular FormulaC94H76BClF6N2O2
Molecular Weight1425.91 g/mol
Exact Mass1424.56
IUPAC Name2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-tert-butylnaphthalen-2-yl)-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine;2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c(C(F)(F)F)cn2)cc2ccccc12.CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc2ccccc12.FC(F)(F)c1cnc(Cl)cc1-c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2
InChIInChI=1S/C44H32F3N.C30H17ClF3N.C20H27BO2/c1-43(2,3)40-24-29(22-27-12-4-5-13-30(27)40)42-25-38(41(26-48-42)44(45,46)47)28-20-21-37-35-18-9-8-16-33(35)31-14-6-7-15-32(31)34-17-10-11-19-36(34)39(37)23-28;31-29-16-26(28(17-35-29)30(32,33)34)18-13-14-25-23-11-4-3-9-21(23)19-7-1-2-8-20(19)22-10-5-6-12-24(22)27(25)15-18;1-18(2,3)17-13-15(12-14-10-8-9-11-16(14)17)21-22-19(4,5)20(6,7)23-21/h4-26H,1-3H3;1-17H;8-13H,1-7H3/b33-31-,34-32-,37-35-,39-36-;21-19-,22-20-,25-23-,27-24-;
InChIKeyIHAUHYQWSKZPJP-OOOICYANSA-N
XLogP26.71
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001425.91
LogP ≤ 526.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-tert-butylnaphthalen-2-yl)-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine;2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine with MolForge

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Related Compounds

2-[4-[2-[3-Chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
CID 134225954
5-(4-Fluorophenyl)-2-[4-[2-[3-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4-methylpyridine
CID 141674046
2-(4-Tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;(4-phenylphenyl)boronic acid
CID 157205212
1-Tert-butyl-3-methylnaphthalene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2,4-dichloro-5-(trifluoromethyl)pyridine
CID 158282385
2-Chloro-5-(trifluoromethyl)pyridine;5,6,7,8-tetrahydronaphthalen-2-ylboronic acid;2-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)pyridine
CID 161677181
2-(4-Tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;methane;(4-phenylphenyl)boronic acid
CID 164958549
2-(4-Tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;[4-[4-[4-[2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]phenyl]-3,5-bis(trifluoromethyl)phenyl]-trimethylsilane;[4-[4-(4-chlorophenyl)phenyl]-3,5-bis(trifluoromethyl)phenyl]-trimethylsilane;trimethyl-[4-[4-(4-methylphenyl)phenyl]-3,5-bis(trifluoromethyl)phenyl]silane
CID 165010504
1-Tert-butyl-3-methylnaphthalene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2,4-dichloro-5-(trifluoromethyl)pyridine;methane
CID 165052588
4-[4-[4-[4-[2,4-Bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]phenyl]phenyl]-2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)pyridine;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-[4-(4-chlorophenyl)phenyl]-5-iodo-1,3-bis(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene
CID 165085998
2-(4-Tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;9-[4-[2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid
CID 165105681
2-(2,4-Difluorophenyl)-5-[2-[3-[2-[6-(2,4-difluorophenyl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]pyridine
CID 165148819
2-Chloro-4-iodo-5-(trifluoromethyl)pyridine;2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine;4,4,5,5-tetramethyl-2-tetraphenylen-2-yl-1,3,2-dioxaborolane
CID 167628029

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-tert-butylnaphthalen-2-yl)-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine;2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-tert-butylnaphthalen-2-yl)-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine;2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine (CID 167589787) is 2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-tert-butylnaphthalen-2-yl)-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine;2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-tert-butylnaphthalen-2-yl)-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine;2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-tert-butylnaphthalen-2-yl)-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine;2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine is CC(C)(C)c1cc(-c2cc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c(C(F)(F)F)cn2)cc2ccccc12.CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc2ccccc12.FC(F)(F)c1cnc(Cl)cc1-c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2.
What is the InChIKey of 2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-tert-butylnaphthalen-2-yl)-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine;2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is IHAUHYQWSKZPJP-OOOICYANSA-N. The full InChI is InChI=1S/C44H32F3N.C30H17ClF3N.C20H27BO2/c1-43(2,3)40-24-29(22-27-12-4-5-13-30(27)40)42-25-38(41(26-48-42)44(45,46)47)28-20-21-37-35-18-9-8-16-33(35)31-14-6-7-15-32(31)34-17-10-11-19-36(34)39(37)23-28;31-29-16-26(28(17-35-29)30(32,33)34)18-13-14-25-23-11-4-3-9-21(23)19-7-1-2-8-20(19)22-10-5-6-12-24(22)27(25)15-18;1-18(2,3)17-13-15(12-14-10-8-9-11-16(14)17)21-22-19(4,5)20(6,7)23-21/h4-26H,1-3H3;1-17H;8-13H,1-7H3/b33-31-,34-32-,37-35-,39-36-;21-19-,22-20-,25-23-,27-24-;.
What are the key properties of 2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-tert-butylnaphthalen-2-yl)-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine;2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine?
2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-tert-butylnaphthalen-2-yl)-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine;2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 1425.91 g/mol, XLogP of 26.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylnaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(4-tert-butylnaphthalen-2-yl)-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine;2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 167589787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).