2-bromo-7-phenylpyrene;2,7-dibromopyrene;N,7-diphenyl-N-(4-pyridin-3-ylphenyl)pyren-2-amine;palladium;phenylboronic acid;N-phenyl-4-pyridin-3-ylaniline;tetrakis(triphenylphosphane);iodide

C172H128BBr3IN4O2P4Pd- — CID 159881321

IUPAC2-bromo-7-phenylpyrene;2,7-dibromopyrene;N,7-diphenyl-N-(4-pyridin-3-ylphenyl)pyren-2-amine;palladium;phenylboronic acid;N-phenyl-4-pyridin-3-ylaniline;tetrakis(triphenylphosphane);iodide
SMILESBrc1cc2ccc3cc(-c4ccccc4)cc4ccc(c1)c2c34.Brc1cc2ccc3cc(Br)cc4ccc(c1)c2c34.OB(O)c1ccccc1.[I-].[Pd].c1ccc(-c2cc3ccc4cc(N(c5ccccc5)c5ccc(-c6cccnc6)cc5)cc5ccc(c2)c3c45)cc1.c1ccc(Nc2ccc(-c3cccnc3)cc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H26N2.C22H13Br.4C18H15P.C17H14N2.C16H8Br2.C6H7BO2.HI.Pd/c1-3-8-27(9-4-1)34-22-29-13-15-31-24-37(25-32-16-14-30(23-34)38(29)39(31)32)41(35-11-5-2-6-12-35)36-19-17-28(18-20-36)33-10-7-21-40-26-33;23-20-12-17-8-6-15-10-19(14-4-2-1-3-5-14)11-16-7-9-18(13-20)22(17)21(15)16;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-16(7-3-1)19-17-10-8-14(9-11-17)15-5-4-12-18-13-15;17-13-5-9-1-2-10-6-14(18)8-12-4-3-11(7-13)15(9)16(10)12;8-7(9)6-4-2-1-3-5-6;;/h1-26H;1-13H;4*1-15H;1-13,19H;1-8H;1-5,8-9H;1H;/p-1
InChIKeyQFVXRJZOJGGOJF-UHFFFAOYSA-M
MW2890.69 g/mol
LogP38.54
Rot. Bonds22

About 2-bromo-7-phenylpyrene;2,7-dibromopyrene;N,7-diphenyl-N-(4-pyridin-3-ylphenyl)pyren-2-amine;palladium;phenylboronic acid;N-phenyl-4-pyridin-3-ylaniline;tetrakis(triphenylphosphane);iodide

2-bromo-7-phenylpyrene;2,7-dibromopyrene;N,7-diphenyl-N-(4-pyridin-3-ylphenyl)pyren-2-amine;palladium;phenylboronic acid;N-phenyl-4-pyridin-3-ylaniline;tetrakis(triphenylphosphane);iodide (PubChem CID 159881321) has the molecular formula C172H128BBr3IN4O2P4Pd- and a molecular weight of 2890.69 g/mol. Its IUPAC name is 2-bromo-7-phenylpyrene;2,7-dibromopyrene;N,7-diphenyl-N-(4-pyridin-3-ylphenyl)pyren-2-amine;palladium;phenylboronic acid;N-phenyl-4-pyridin-3-ylaniline;tetrakis(triphenylphosphane);iodide.

Molecular Properties

Compound Name2-bromo-7-phenylpyrene;2,7-dibromopyrene;N,7-diphenyl-N-(4-pyridin-3-ylphenyl)pyren-2-amine;palladium;phenylboronic acid;N-phenyl-4-pyridin-3-ylaniline;tetrakis(triphenylphosphane);iodide
PubChem CID159881321
Molecular FormulaC172H128BBr3IN4O2P4Pd-
Molecular Weight2890.69 g/mol
Exact Mass2885.47
IUPAC Name2-bromo-7-phenylpyrene;2,7-dibromopyrene;N,7-diphenyl-N-(4-pyridin-3-ylphenyl)pyren-2-amine;palladium;phenylboronic acid;N-phenyl-4-pyridin-3-ylaniline;tetrakis(triphenylphosphane);iodide
SMILESBrc1cc2ccc3cc(-c4ccccc4)cc4ccc(c1)c2c34.Brc1cc2ccc3cc(Br)cc4ccc(c1)c2c34.OB(O)c1ccccc1.[I-].[Pd].c1ccc(-c2cc3ccc4cc(N(c5ccccc5)c5ccc(-c6cccnc6)cc5)cc5ccc(c2)c3c45)cc1.c1ccc(Nc2ccc(-c3cccnc3)cc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H26N2.C22H13Br.4C18H15P.C17H14N2.C16H8Br2.C6H7BO2.HI.Pd/c1-3-8-27(9-4-1)34-22-29-13-15-31-24-37(25-32-16-14-30(23-34)38(29)39(31)32)41(35-11-5-2-6-12-35)36-19-17-28(18-20-36)33-10-7-21-40-26-33;23-20-12-17-8-6-15-10-19(14-4-2-1-3-5-14)11-16-7-9-18(13-20)22(17)21(15)16;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-16(7-3-1)19-17-10-8-14(9-11-17)15-5-4-12-18-13-15;17-13-5-9-1-2-10-6-14(18)8-12-4-3-11(7-13)15(9)16(10)12;8-7(9)6-4-2-1-3-5-6;;/h1-26H;1-13H;4*1-15H;1-13,19H;1-8H;1-5,8-9H;1H;/p-1
InChIKeyQFVXRJZOJGGOJF-UHFFFAOYSA-M
XLogP38.54
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002890.69
LogP ≤ 538.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-(7-bromonaphthalen-2-yl)-N-naphthalen-1-yl-N-(4-pyridin-4-ylphenyl)naphthalen-2-amine
CID 142720517
3-[3-[3-(3-Bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene
CID 157251151
6-bromonaphthalen-2-amine;bis(N,N-dimethyl-6-(1-methylpyridin-1-ium-4-yl)naphthalen-2-amine);methane;pyridin-4-ylboronic acid;6-pyridin-4-ylnaphthalen-2-amine;acetate;iodide
CID 157261639
1-bromo-4-iodobenzene;9-(4-bromophenyl)-10-phenylanthracene;(10-phenylanthracen-9-yl)boronic acid;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]pyridin-2-amine;N-phenylpyridin-2-amine
CID 157517323
1-bromo-4-iodobenzene;9-(4-bromophenyl)-10-phenylanthracene;5-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]pyridin-2-amine;5-methyl-N-phenylpyridin-2-amine;(10-phenylanthracen-9-yl)boronic acid
CID 157636189
9-(3-Bromophenyl)-10-[3-(2,3,4,5-tetraphenylphenyl)phenyl]anthracene;pyridin-4-ylboronic acid;4-[3-[10-[3-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine
CID 157641349
2-(3-bromophenyl)-4-(4-phenylphenyl)pyridine;naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine
CID 158048290
4-(4-bromophenyl)-1,2-diphenylnaphthalene;N-[4-(3,4-diphenylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)pyridin-3-amine;3-[(3-phenylphenyl)methyl]pyridine
CID 158322257
5-Bromopyridin-2-amine;naphthalen-1-ylboronic acid;5-naphthalen-1-ylpyridin-2-amine;palladium;tetrakis(triphenylphosphane)
CID 158613435
2-Bromo-9,10-dinaphthalen-2-ylanthracene;3-[2-[2-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]ethynyl]pyridine;[2-(2-pyridin-3-ylethynyl)phenyl]boronic acid
CID 159034716
N,N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]naphthalen-1-amine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;naphthalen-1-amine
CID 159074754
5-Bromo-2-(1,4-diphenyltriphenylen-2-yl)pyridine;2-(1,4-diphenyltriphenylen-2-yl)-5-phenylpyridine;phenylboronic acid
CID 159500831

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-phenylpyrene;2,7-dibromopyrene;N,7-diphenyl-N-(4-pyridin-3-ylphenyl)pyren-2-amine;palladium;phenylboronic acid;N-phenyl-4-pyridin-3-ylaniline;tetrakis(triphenylphosphane);iodide?
The IUPAC name of 2-bromo-7-phenylpyrene;2,7-dibromopyrene;N,7-diphenyl-N-(4-pyridin-3-ylphenyl)pyren-2-amine;palladium;phenylboronic acid;N-phenyl-4-pyridin-3-ylaniline;tetrakis(triphenylphosphane);iodide (CID 159881321) is 2-bromo-7-phenylpyrene;2,7-dibromopyrene;N,7-diphenyl-N-(4-pyridin-3-ylphenyl)pyren-2-amine;palladium;phenylboronic acid;N-phenyl-4-pyridin-3-ylaniline;tetrakis(triphenylphosphane);iodide.
What is the SMILES notation for 2-bromo-7-phenylpyrene;2,7-dibromopyrene;N,7-diphenyl-N-(4-pyridin-3-ylphenyl)pyren-2-amine;palladium;phenylboronic acid;N-phenyl-4-pyridin-3-ylaniline;tetrakis(triphenylphosphane);iodide?
The canonical SMILES for 2-bromo-7-phenylpyrene;2,7-dibromopyrene;N,7-diphenyl-N-(4-pyridin-3-ylphenyl)pyren-2-amine;palladium;phenylboronic acid;N-phenyl-4-pyridin-3-ylaniline;tetrakis(triphenylphosphane);iodide is Brc1cc2ccc3cc(-c4ccccc4)cc4ccc(c1)c2c34.Brc1cc2ccc3cc(Br)cc4ccc(c1)c2c34.OB(O)c1ccccc1.[I-].[Pd].c1ccc(-c2cc3ccc4cc(N(c5ccccc5)c5ccc(-c6cccnc6)cc5)cc5ccc(c2)c3c45)cc1.c1ccc(Nc2ccc(-c3cccnc3)cc2)cc1.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 2-bromo-7-phenylpyrene;2,7-dibromopyrene;N,7-diphenyl-N-(4-pyridin-3-ylphenyl)pyren-2-amine;palladium;phenylboronic acid;N-phenyl-4-pyridin-3-ylaniline;tetrakis(triphenylphosphane);iodide?
The InChIKey is QFVXRJZOJGGOJF-UHFFFAOYSA-M. The full InChI is InChI=1S/C39H26N2.C22H13Br.4C18H15P.C17H14N2.C16H8Br2.C6H7BO2.HI.Pd/c1-3-8-27(9-4-1)34-22-29-13-15-31-24-37(25-32-16-14-30(23-34)38(29)39(31)32)41(35-11-5-2-6-12-35)36-19-17-28(18-20-36)33-10-7-21-40-26-33;23-20-12-17-8-6-15-10-19(14-4-2-1-3-5-14)11-16-7-9-18(13-20)22(17)21(15)16;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-16(7-3-1)19-17-10-8-14(9-11-17)15-5-4-12-18-13-15;17-13-5-9-1-2-10-6-14(18)8-12-4-3-11(7-13)15(9)16(10)12;8-7(9)6-4-2-1-3-5-6;;/h1-26H;1-13H;4*1-15H;1-13,19H;1-8H;1-5,8-9H;1H;/p-1.
What are the key properties of 2-bromo-7-phenylpyrene;2,7-dibromopyrene;N,7-diphenyl-N-(4-pyridin-3-ylphenyl)pyren-2-amine;palladium;phenylboronic acid;N-phenyl-4-pyridin-3-ylaniline;tetrakis(triphenylphosphane);iodide?
2-bromo-7-phenylpyrene;2,7-dibromopyrene;N,7-diphenyl-N-(4-pyridin-3-ylphenyl)pyren-2-amine;palladium;phenylboronic acid;N-phenyl-4-pyridin-3-ylaniline;tetrakis(triphenylphosphane);iodide has a molecular weight of 2890.69 g/mol, XLogP of 38.54, 22 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-phenylpyrene;2,7-dibromopyrene;N,7-diphenyl-N-(4-pyridin-3-ylphenyl)pyren-2-amine;palladium;phenylboronic acid;N-phenyl-4-pyridin-3-ylaniline;tetrakis(triphenylphosphane);iodide is sourced from PubChem (CID 159881321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).