lithium;acetyl bromide;3-aminonaphthalene-2-carbaldehyde;benzo[g]quinolin-2-yl(tributyl)stannane;2-bromobenzo[g]quinoline;6-bromo-1,9-dihydropyrene;butane;2-(4,6-dihydropyren-1-yl)benzo[g]quinoline;methane;palladium;tetrakis(triphenylphosphane)

C173H158Br3LiN4O2P4PdSn — CID 159128274

IUPAClithium;acetyl bromide;3-aminonaphthalene-2-carbaldehyde;benzo[g]quinolin-2-yl(tributyl)stannane;2-bromobenzo[g]quinoline;6-bromo-1,9-dihydropyrene;butane;2-(4,6-dihydropyren-1-yl)benzo[g]quinoline;methane;palladium;tetrakis(triphenylphosphane)
SMILESBrc1ccc2c3c4c(ccc13)C=CCC4=CC2.Brc1ccc2cc3ccccc3cc2n1.C.C1=Cc2ccc3c(-c4ccc5cc6ccccc6cc5n4)ccc4c3c2C(=CC4)C1.CC(=O)Br.CCCC[Sn](CCCC)(CCCC)c1ccc2cc3ccccc3cc2n1.Nc1cc2ccccc2cc1C=O.[CH2-]CCC.[Li+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H19N.4C18H15P.C16H11Br.C13H8BrN.C13H8N.C11H9NO.4C4H9.C2H3BrO.CH4.Li.Pd.Sn/c1-2-5-22-17-27-23(16-21(22)4-1)12-15-26(30-27)24-13-10-20-9-8-18-6-3-7-19-11-14-25(24)29(20)28(18)19;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;14-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)15-13;1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1;12-11-6-9-4-2-1-3-8(9)5-10(11)7-13;4*1-3-4-2;1-2(3)4;;;;/h1-5,7-8,10-17H,6,9H2;4*1-15H;1,3-4,6-9H,2,5H2;1-8H;1-6,8-9H;1-7H,12H2;4*1,3-4H2,2H3;1H3;1H4;;;/q;;;;;;;;;;;;-1;;;+1;;
InChIKeyCYLKMSZUIPITNJ-UHFFFAOYSA-N
MW2920.87 g/mol
LogP40.32
Rot. Bonds25

About lithium;acetyl bromide;3-aminonaphthalene-2-carbaldehyde;benzo[g]quinolin-2-yl(tributyl)stannane;2-bromobenzo[g]quinoline;6-bromo-1,9-dihydropyrene;butane;2-(4,6-dihydropyren-1-yl)benzo[g]quinoline;methane;palladium;tetrakis(triphenylphosphane)

lithium;acetyl bromide;3-aminonaphthalene-2-carbaldehyde;benzo[g]quinolin-2-yl(tributyl)stannane;2-bromobenzo[g]quinoline;6-bromo-1,9-dihydropyrene;butane;2-(4,6-dihydropyren-1-yl)benzo[g]quinoline;methane;palladium;tetrakis(triphenylphosphane) (PubChem CID 159128274) has the molecular formula C173H158Br3LiN4O2P4PdSn and a molecular weight of 2920.87 g/mol. Its IUPAC name is lithium;acetyl bromide;3-aminonaphthalene-2-carbaldehyde;benzo[g]quinolin-2-yl(tributyl)stannane;2-bromobenzo[g]quinoline;6-bromo-1,9-dihydropyrene;butane;2-(4,6-dihydropyren-1-yl)benzo[g]quinoline;methane;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Namelithium;acetyl bromide;3-aminonaphthalene-2-carbaldehyde;benzo[g]quinolin-2-yl(tributyl)stannane;2-bromobenzo[g]quinoline;6-bromo-1,9-dihydropyrene;butane;2-(4,6-dihydropyren-1-yl)benzo[g]quinoline;methane;palladium;tetrakis(triphenylphosphane)
PubChem CID159128274
Molecular FormulaC173H158Br3LiN4O2P4PdSn
Molecular Weight2920.87 g/mol
Exact Mass2916.71
IUPAC Namelithium;acetyl bromide;3-aminonaphthalene-2-carbaldehyde;benzo[g]quinolin-2-yl(tributyl)stannane;2-bromobenzo[g]quinoline;6-bromo-1,9-dihydropyrene;butane;2-(4,6-dihydropyren-1-yl)benzo[g]quinoline;methane;palladium;tetrakis(triphenylphosphane)
SMILESBrc1ccc2c3c4c(ccc13)C=CCC4=CC2.Brc1ccc2cc3ccccc3cc2n1.C.C1=Cc2ccc3c(-c4ccc5cc6ccccc6cc5n4)ccc4c3c2C(=CC4)C1.CC(=O)Br.CCCC[Sn](CCCC)(CCCC)c1ccc2cc3ccccc3cc2n1.Nc1cc2ccccc2cc1C=O.[CH2-]CCC.[Li+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H19N.4C18H15P.C16H11Br.C13H8BrN.C13H8N.C11H9NO.4C4H9.C2H3BrO.CH4.Li.Pd.Sn/c1-2-5-22-17-27-23(16-21(22)4-1)12-15-26(30-27)24-13-10-20-9-8-18-6-3-7-19-11-14-25(24)29(20)28(18)19;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;14-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)15-13;1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1;12-11-6-9-4-2-1-3-8(9)5-10(11)7-13;4*1-3-4-2;1-2(3)4;;;;/h1-5,7-8,10-17H,6,9H2;4*1-15H;1,3-4,6-9H,2,5H2;1-8H;1-6,8-9H;1-7H,12H2;4*1,3-4H2,2H3;1H3;1H4;;;/q;;;;;;;;;;;;-1;;;+1;;
InChIKeyCYLKMSZUIPITNJ-UHFFFAOYSA-N
XLogP40.32
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms189
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002920.87
LogP ≤ 540.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze lithium;acetyl bromide;3-aminonaphthalene-2-carbaldehyde;benzo[g]quinolin-2-yl(tributyl)stannane;2-bromobenzo[g]quinoline;6-bromo-1,9-dihydropyrene;butane;2-(4,6-dihydropyren-1-yl)benzo[g]quinoline;methane;palladium;tetrakis(triphenylphosphane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Aniline;6-anilino-15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one;6-bromo-15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one
CID 158868187
2-Bromobenzaldehyde;5-bromobenzo[c]acridine;4-bromonaphthalen-1-amine;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[c]acridine;4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane
CID 158952299
[2-Amino-5-[4-amino-3-(4-tert-butylbenzoyl)phenyl]phenyl]-(4-tert-butylphenyl)methanone;(2-amino-5-bromophenyl)-(4-tert-butylphenyl)methanone;2-(4-bromophenyl)-6-[2-(4-bromophenyl)-4-(4-tert-butylphenyl)quinolin-6-yl]-4-(4-tert-butylphenyl)quinoline
CID 160949177
1-Aminonaphthalene-2-carbaldehyde;2-(4-bromophenyl)benzo[h]quinoline;1-(4-bromophenyl)ethanone
CID 161223866
1-Aminonaphthalene-2-carbaldehyde;2-(4-bromophenyl)benzo[h]quinoline;1-(4-bromophenyl)ethanone;methane
CID 161541921
2-amino-5-bromobenzaldehyde;6-bromo-2-(2-methylpropyl)quinoline;4-methylpentan-2-one;3-[2-(2-methylpropyl)quinolin-6-yl]propanamide;(E)-3-[2-(2-methylpropyl)quinolin-6-yl]prop-2-enamide;prop-2-enamide
CID 163947509

Frequently Asked Questions

What is the IUPAC name of lithium;acetyl bromide;3-aminonaphthalene-2-carbaldehyde;benzo[g]quinolin-2-yl(tributyl)stannane;2-bromobenzo[g]quinoline;6-bromo-1,9-dihydropyrene;butane;2-(4,6-dihydropyren-1-yl)benzo[g]quinoline;methane;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of lithium;acetyl bromide;3-aminonaphthalene-2-carbaldehyde;benzo[g]quinolin-2-yl(tributyl)stannane;2-bromobenzo[g]quinoline;6-bromo-1,9-dihydropyrene;butane;2-(4,6-dihydropyren-1-yl)benzo[g]quinoline;methane;palladium;tetrakis(triphenylphosphane) (CID 159128274) is lithium;acetyl bromide;3-aminonaphthalene-2-carbaldehyde;benzo[g]quinolin-2-yl(tributyl)stannane;2-bromobenzo[g]quinoline;6-bromo-1,9-dihydropyrene;butane;2-(4,6-dihydropyren-1-yl)benzo[g]quinoline;methane;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for lithium;acetyl bromide;3-aminonaphthalene-2-carbaldehyde;benzo[g]quinolin-2-yl(tributyl)stannane;2-bromobenzo[g]quinoline;6-bromo-1,9-dihydropyrene;butane;2-(4,6-dihydropyren-1-yl)benzo[g]quinoline;methane;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for lithium;acetyl bromide;3-aminonaphthalene-2-carbaldehyde;benzo[g]quinolin-2-yl(tributyl)stannane;2-bromobenzo[g]quinoline;6-bromo-1,9-dihydropyrene;butane;2-(4,6-dihydropyren-1-yl)benzo[g]quinoline;methane;palladium;tetrakis(triphenylphosphane) is Brc1ccc2c3c4c(ccc13)C=CCC4=CC2.Brc1ccc2cc3ccccc3cc2n1.C.C1=Cc2ccc3c(-c4ccc5cc6ccccc6cc5n4)ccc4c3c2C(=CC4)C1.CC(=O)Br.CCCC[Sn](CCCC)(CCCC)c1ccc2cc3ccccc3cc2n1.Nc1cc2ccccc2cc1C=O.[CH2-]CCC.[Li+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of lithium;acetyl bromide;3-aminonaphthalene-2-carbaldehyde;benzo[g]quinolin-2-yl(tributyl)stannane;2-bromobenzo[g]quinoline;6-bromo-1,9-dihydropyrene;butane;2-(4,6-dihydropyren-1-yl)benzo[g]quinoline;methane;palladium;tetrakis(triphenylphosphane)?
The InChIKey is CYLKMSZUIPITNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N.4C18H15P.C16H11Br.C13H8BrN.C13H8N.C11H9NO.4C4H9.C2H3BrO.CH4.Li.Pd.Sn/c1-2-5-22-17-27-23(16-21(22)4-1)12-15-26(30-27)24-13-10-20-9-8-18-6-3-7-19-11-14-25(24)29(20)28(18)19;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;14-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)15-13;1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1;12-11-6-9-4-2-1-3-8(9)5-10(11)7-13;4*1-3-4-2;1-2(3)4;;;;/h1-5,7-8,10-17H,6,9H2;4*1-15H;1,3-4,6-9H,2,5H2;1-8H;1-6,8-9H;1-7H,12H2;4*1,3-4H2,2H3;1H3;1H4;;;/q;;;;;;;;;;;;-1;;;+1;;.
What are the key properties of lithium;acetyl bromide;3-aminonaphthalene-2-carbaldehyde;benzo[g]quinolin-2-yl(tributyl)stannane;2-bromobenzo[g]quinoline;6-bromo-1,9-dihydropyrene;butane;2-(4,6-dihydropyren-1-yl)benzo[g]quinoline;methane;palladium;tetrakis(triphenylphosphane)?
lithium;acetyl bromide;3-aminonaphthalene-2-carbaldehyde;benzo[g]quinolin-2-yl(tributyl)stannane;2-bromobenzo[g]quinoline;6-bromo-1,9-dihydropyrene;butane;2-(4,6-dihydropyren-1-yl)benzo[g]quinoline;methane;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2920.87 g/mol, XLogP of 40.32, 25 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;acetyl bromide;3-aminonaphthalene-2-carbaldehyde;benzo[g]quinolin-2-yl(tributyl)stannane;2-bromobenzo[g]quinoline;6-bromo-1,9-dihydropyrene;butane;2-(4,6-dihydropyren-1-yl)benzo[g]quinoline;methane;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159128274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).