(3-bromo-5-isocyanophenyl)-triphenylsilane;[3-isocyano-5-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane;3-isocyano-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane;palladium

C95H74BBrN6O2PdSi2 — CID 157391659

IUPAC(3-bromo-5-isocyanophenyl)-triphenylsilane;[3-isocyano-5-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane;3-isocyano-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane;palladium
SMILESC.[C-]#[N+]c1cc(-c2cccc(-n3c4ccccc4c4cc([N+]#[C-])ccc43)c2)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1cc(Br)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(B2OC(C)(C)C(C)(C)O2)c1.[Pd]
InChIInChI=1S/C44H29N3Si.C25H23BN2O2.C25H18BrNSi.CH4.Pd/c1-45-34-25-26-44-42(31-34)41-23-12-13-24-43(41)47(44)36-16-14-15-32(28-36)33-27-35(46-2)30-40(29-33)48(37-17-6-3-7-18-37,38-19-8-4-9-20-38)39-21-10-5-11-22-39;1-24(2)25(3,4)30-26(29-24)17-9-8-10-19(15-17)28-22-12-7-6-11-20(22)21-16-18(27-5)13-14-23(21)28;1-27-21-17-20(26)18-25(19-21)28(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;;/h3-31H;6-16H,1-4H3;2-19H;1H4;
InChIKeyBMBQKUQBXWCWGM-UHFFFAOYSA-N
MW1584.98 g/mol
LogP19.57
Rot. Bonds12

About (3-bromo-5-isocyanophenyl)-triphenylsilane;[3-isocyano-5-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane;3-isocyano-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane;palladium

(3-bromo-5-isocyanophenyl)-triphenylsilane;[3-isocyano-5-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane;3-isocyano-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane;palladium (PubChem CID 157391659) has the molecular formula C95H74BBrN6O2PdSi2 and a molecular weight of 1584.98 g/mol. Its IUPAC name is (3-bromo-5-isocyanophenyl)-triphenylsilane;[3-isocyano-5-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane;3-isocyano-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane;palladium.

Molecular Properties

Compound Name(3-bromo-5-isocyanophenyl)-triphenylsilane;[3-isocyano-5-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane;3-isocyano-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane;palladium
PubChem CID157391659
Molecular FormulaC95H74BBrN6O2PdSi2
Molecular Weight1584.98 g/mol
Exact Mass1582.37
IUPAC Name(3-bromo-5-isocyanophenyl)-triphenylsilane;[3-isocyano-5-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane;3-isocyano-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane;palladium
SMILESC.[C-]#[N+]c1cc(-c2cccc(-n3c4ccccc4c4cc([N+]#[C-])ccc43)c2)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1cc(Br)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(B2OC(C)(C)C(C)(C)O2)c1.[Pd]
InChIInChI=1S/C44H29N3Si.C25H23BN2O2.C25H18BrNSi.CH4.Pd/c1-45-34-25-26-44-42(31-34)41-23-12-13-24-43(41)47(44)36-16-14-15-32(28-36)33-27-35(46-2)30-40(29-33)48(37-17-6-3-7-18-37,38-19-8-4-9-20-38)39-21-10-5-11-22-39;1-24(2)25(3,4)30-26(29-24)17-9-8-10-19(15-17)28-22-12-7-6-11-20(22)21-16-18(27-5)13-14-23(21)28;1-27-21-17-20(26)18-25(19-21)28(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;;/h3-31H;6-16H,1-4H3;2-19H;1H4;
InChIKeyBMBQKUQBXWCWGM-UHFFFAOYSA-N
XLogP19.57
TPSA45.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001584.98
LogP ≤ 519.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

triphenyl-[9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]silane
CID 165169101
3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane
CID 159476950
[3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
CID 153318570
3-[9-(3-bromophenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158893263
3-bromo-6-phenyl-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 158301935
CID 167583164
CID 167583164
[3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane
CID 153318392
[4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
CID 153318560
[4-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane;[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;9-[3-[4-(3-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 160567340
[3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
CID 176785025
[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 90773884
[3-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane
CID 162490214

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-isocyanophenyl)-triphenylsilane;[3-isocyano-5-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane;3-isocyano-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane;palladium?
The IUPAC name of (3-bromo-5-isocyanophenyl)-triphenylsilane;[3-isocyano-5-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane;3-isocyano-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane;palladium (CID 157391659) is (3-bromo-5-isocyanophenyl)-triphenylsilane;[3-isocyano-5-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane;3-isocyano-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane;palladium.
What is the SMILES notation for (3-bromo-5-isocyanophenyl)-triphenylsilane;[3-isocyano-5-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane;3-isocyano-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane;palladium?
The canonical SMILES for (3-bromo-5-isocyanophenyl)-triphenylsilane;[3-isocyano-5-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane;3-isocyano-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane;palladium is C.[C-]#[N+]c1cc(-c2cccc(-n3c4ccccc4c4cc([N+]#[C-])ccc43)c2)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1cc(Br)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(B2OC(C)(C)C(C)(C)O2)c1.[Pd].
What is the InChIKey of (3-bromo-5-isocyanophenyl)-triphenylsilane;[3-isocyano-5-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane;3-isocyano-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane;palladium?
The InChIKey is BMBQKUQBXWCWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3Si.C25H23BN2O2.C25H18BrNSi.CH4.Pd/c1-45-34-25-26-44-42(31-34)41-23-12-13-24-43(41)47(44)36-16-14-15-32(28-36)33-27-35(46-2)30-40(29-33)48(37-17-6-3-7-18-37,38-19-8-4-9-20-38)39-21-10-5-11-22-39;1-24(2)25(3,4)30-26(29-24)17-9-8-10-19(15-17)28-22-12-7-6-11-20(22)21-16-18(27-5)13-14-23(21)28;1-27-21-17-20(26)18-25(19-21)28(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;;/h3-31H;6-16H,1-4H3;2-19H;1H4;.
What are the key properties of (3-bromo-5-isocyanophenyl)-triphenylsilane;[3-isocyano-5-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane;3-isocyano-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane;palladium?
(3-bromo-5-isocyanophenyl)-triphenylsilane;[3-isocyano-5-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane;3-isocyano-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane;palladium has a molecular weight of 1584.98 g/mol, XLogP of 19.57, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-isocyanophenyl)-triphenylsilane;[3-isocyano-5-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane;3-isocyano-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane;palladium is sourced from PubChem (CID 157391659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).