(6-bromo-3-pyridinyl)-trimethylsilane;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;trimethyl-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]silane

C58H60BBrN4O2Si2 — CID 157137607

IUPAC(6-bromo-3-pyridinyl)-trimethylsilane;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;trimethyl-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]silane
SMILESCC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1(C)C.C[Si](C)(C)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)nc1.C[Si](C)(C)c1ccc(Br)nc1
InChIInChI=1S/C26H24N2Si.C24H24BNO2.C8H12BrNSi/c1-29(2,3)21-14-15-24(27-18-21)19-13-16-26-23(17-19)22-11-7-8-12-25(22)28(26)20-9-5-4-6-10-20;1-23(2)24(3,4)28-25(27-23)17-14-15-22-20(16-17)19-12-8-9-13-21(19)26(22)18-10-6-5-7-11-18;1-11(2,3)7-4-5-8(9)10-6-7/h4-18H,1-3H3;5-16H,1-4H3;4-6H,1-3H3
InChIKeyAJUQDWBEKLJXTB-UHFFFAOYSA-N
MW992.03 g/mol
LogP13.86
Rot. Bonds6

About (6-bromo-3-pyridinyl)-trimethylsilane;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;trimethyl-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]silane

(6-bromo-3-pyridinyl)-trimethylsilane;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;trimethyl-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]silane (PubChem CID 157137607) has the molecular formula C58H60BBrN4O2Si2 and a molecular weight of 992.03 g/mol. Its IUPAC name is (6-bromo-3-pyridinyl)-trimethylsilane;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;trimethyl-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]silane.

Molecular Properties

Compound Name(6-bromo-3-pyridinyl)-trimethylsilane;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;trimethyl-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]silane
PubChem CID157137607
Molecular FormulaC58H60BBrN4O2Si2
Molecular Weight992.03 g/mol
Exact Mass990.35
IUPAC Name(6-bromo-3-pyridinyl)-trimethylsilane;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;trimethyl-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]silane
SMILESCC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1(C)C.C[Si](C)(C)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)nc1.C[Si](C)(C)c1ccc(Br)nc1
InChIInChI=1S/C26H24N2Si.C24H24BNO2.C8H12BrNSi/c1-29(2,3)21-14-15-24(27-18-21)19-13-16-26-23(17-19)22-11-7-8-12-25(22)28(26)20-9-5-4-6-10-20;1-23(2)24(3,4)28-25(27-23)17-14-15-22-20(16-17)19-12-8-9-13-21(19)26(22)18-10-6-5-7-11-18;1-11(2,3)7-4-5-8(9)10-6-7/h4-18H,1-3H3;5-16H,1-4H3;4-6H,1-3H3
InChIKeyAJUQDWBEKLJXTB-UHFFFAOYSA-N
XLogP13.86
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500992.03
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[9-[4-[5-[4-[3,6-Bis(4-trimethylsilylphenyl)carbazol-9-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-trimethylsilylphenyl)carbazol-3-yl]phenyl]-trimethylsilane
CID 59372037
9-[4-[5-[5-[4-(3,6-Dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole
CID 59449581
bis(7-(3,6-dimethylcarbazol-9-yl)spiro[9H-[1]benzosilolo[3,2-b]pyridin-9-ide-5,5'-benzo[b][1]benzosilole]);platinum(2+)
CID 59661705
Bis[4-[8-(2,2-dimethylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-dimethylsilane
CID 67988479
9-Phenyl-3,6-bis(9-phenyl-6-pyridin-2-ylcarbazol-3-yl)carbazole
CID 68185633
3-(3-Methyl-2-pyridinyl)-9-[4-[4-[3-(3-methyl-2-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole
CID 68359004
Bis[4-[8-(2-methylpropyl)pyrido[4,3-b]indol-5-yl]phenyl]-diphenylsilane
CID 88543375
9-(2,3,4,5,6-Pentadeuteriophenyl)-3,6-bis[9-(2,3,4,5,6-pentadeuteriophenyl)-6-pyridin-2-ylcarbazol-3-yl]carbazole
CID 89549171
3,10-Diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole
CID 90035846
3,10-Diphenyl-7-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90062547
1,9-Diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]carbazole
CID 90062551
10-Phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole
CID 90062573

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-pyridinyl)-trimethylsilane;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;trimethyl-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]silane?
The IUPAC name of (6-bromo-3-pyridinyl)-trimethylsilane;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;trimethyl-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]silane (CID 157137607) is (6-bromo-3-pyridinyl)-trimethylsilane;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;trimethyl-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]silane.
What is the SMILES notation for (6-bromo-3-pyridinyl)-trimethylsilane;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;trimethyl-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]silane?
The canonical SMILES for (6-bromo-3-pyridinyl)-trimethylsilane;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;trimethyl-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]silane is CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1(C)C.C[Si](C)(C)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)nc1.C[Si](C)(C)c1ccc(Br)nc1.
What is the InChIKey of (6-bromo-3-pyridinyl)-trimethylsilane;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;trimethyl-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]silane?
The InChIKey is AJUQDWBEKLJXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2Si.C24H24BNO2.C8H12BrNSi/c1-29(2,3)21-14-15-24(27-18-21)19-13-16-26-23(17-19)22-11-7-8-12-25(22)28(26)20-9-5-4-6-10-20;1-23(2)24(3,4)28-25(27-23)17-14-15-22-20(16-17)19-12-8-9-13-21(19)26(22)18-10-6-5-7-11-18;1-11(2,3)7-4-5-8(9)10-6-7/h4-18H,1-3H3;5-16H,1-4H3;4-6H,1-3H3.
What are the key properties of (6-bromo-3-pyridinyl)-trimethylsilane;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;trimethyl-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]silane?
(6-bromo-3-pyridinyl)-trimethylsilane;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;trimethyl-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]silane has a molecular weight of 992.03 g/mol, XLogP of 13.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-pyridinyl)-trimethylsilane;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;trimethyl-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]silane is sourced from PubChem (CID 157137607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).