3-bromo-9-(4-phenylphenyl)carbazole;methane;palladium;[9-(3-phenylphenyl)carbazol-3-yl]boronic acid;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;tetrakis(triphenylphosphane)

C169H130BBrN4O2P4Pd — CID 157083258

IUPAC3-bromo-9-(4-phenylphenyl)carbazole;methane;palladium;[9-(3-phenylphenyl)carbazol-3-yl]boronic acid;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;tetrakis(triphenylphosphane)
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1.C.OB(O)c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccccc2)c1.[Pd].c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)cc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H32N2.C24H18BNO2.C24H16BrN.4C18H15P.CH4.Pd/c1-3-12-33(13-4-1)35-22-26-39(27-23-35)49-45-20-9-7-18-41(45)43-31-37(24-28-47(43)49)38-25-29-48-44(32-38)42-19-8-10-21-46(42)50(48)40-17-11-16-36(30-40)34-14-5-2-6-15-34;27-25(28)19-13-14-24-22(16-19)21-11-4-5-12-23(21)26(24)20-10-6-9-18(15-20)17-7-2-1-3-8-17;25-19-12-15-24-22(16-19)21-8-4-5-9-23(21)26(24)20-13-10-18(11-14-20)17-6-2-1-3-7-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-32H;1-16,27-28H;1-16H;4*1-15H;1H4;
InChIKeyADUJRJGOZCPBGA-UHFFFAOYSA-N
MW2569.96 g/mol
LogP38.64
Rot. Bonds22

About 3-bromo-9-(4-phenylphenyl)carbazole;methane;palladium;[9-(3-phenylphenyl)carbazol-3-yl]boronic acid;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;tetrakis(triphenylphosphane)

3-bromo-9-(4-phenylphenyl)carbazole;methane;palladium;[9-(3-phenylphenyl)carbazol-3-yl]boronic acid;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;tetrakis(triphenylphosphane) (PubChem CID 157083258) has the molecular formula C169H130BBrN4O2P4Pd and a molecular weight of 2569.96 g/mol. Its IUPAC name is 3-bromo-9-(4-phenylphenyl)carbazole;methane;palladium;[9-(3-phenylphenyl)carbazol-3-yl]boronic acid;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name3-bromo-9-(4-phenylphenyl)carbazole;methane;palladium;[9-(3-phenylphenyl)carbazol-3-yl]boronic acid;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;tetrakis(triphenylphosphane)
PubChem CID157083258
Molecular FormulaC169H130BBrN4O2P4Pd
Molecular Weight2569.96 g/mol
Exact Mass2566.75
IUPAC Name3-bromo-9-(4-phenylphenyl)carbazole;methane;palladium;[9-(3-phenylphenyl)carbazol-3-yl]boronic acid;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;tetrakis(triphenylphosphane)
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1.C.OB(O)c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccccc2)c1.[Pd].c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)cc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H32N2.C24H18BNO2.C24H16BrN.4C18H15P.CH4.Pd/c1-3-12-33(13-4-1)35-22-26-39(27-23-35)49-45-20-9-7-18-41(45)43-31-37(24-28-47(43)49)38-25-29-48-44(32-38)42-19-8-10-21-46(42)50(48)40-17-11-16-36(30-40)34-14-5-2-6-15-34;27-25(28)19-13-14-24-22(16-19)21-11-4-5-12-23(21)26(24)20-10-6-9-18(15-20)17-7-2-1-3-8-17;25-19-12-15-24-22(16-19)21-8-4-5-9-23(21)26(24)20-13-10-18(11-14-20)17-6-2-1-3-7-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-32H;1-16,27-28H;1-16H;4*1-15H;1H4;
InChIKeyADUJRJGOZCPBGA-UHFFFAOYSA-N
XLogP38.64
TPSA60.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms182
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002569.96
LogP ≤ 538.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6,6'-Dibromo-9,9'-diphenyl-3,3'-bicarbazole
CID 131852839
3,3'-Bi-9H-carbazole, 6-bromo-9,9'-diphenyl-
CID 70661112
3-[9-(4-Bromophenyl)carbazol-3-yl]-9-(4-fluoro-3-methylphenyl)carbazole
CID 163900450
CID 139082644
CID 139082644
ZINC 2,18-bis(6-bromo-9-ethylcarbazol-3-yl)-5,10,15-tris(3,5-ditert-butylphenyl)porphyrin-22,24-diide
CID 139260814
3-Bromo-9-[4-[4-(3-bromo-6-octylcarbazol-9-yl)phenyl]phenyl]-6-octylcarbazole
CID 42603707
3-Bromo-9-[4-[4-(3-bromo-6-methylcarbazol-9-yl)phenyl]phenyl]-6-methylcarbazole
CID 57610177
3-Bromo-9-[4-(3-bromo-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole
CID 57610178
3,6-Bis(3-bromo-6-methylcarbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 57610179
3-Bromo-9-[4-(3-bromo-6-tert-butylcarbazol-9-yl)phenyl]-6-tert-butylcarbazole
CID 57823375
1-[4-[3-Bromo-5-[4-(2-phenylindol-1-yl)phenyl]phenyl]phenyl]-2-phenylindole
CID 57879963
4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline
CID 58113374

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-(4-phenylphenyl)carbazole;methane;palladium;[9-(3-phenylphenyl)carbazol-3-yl]boronic acid;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;tetrakis(triphenylphosphane)?
The IUPAC name of 3-bromo-9-(4-phenylphenyl)carbazole;methane;palladium;[9-(3-phenylphenyl)carbazol-3-yl]boronic acid;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;tetrakis(triphenylphosphane) (CID 157083258) is 3-bromo-9-(4-phenylphenyl)carbazole;methane;palladium;[9-(3-phenylphenyl)carbazol-3-yl]boronic acid;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;tetrakis(triphenylphosphane).
What is the SMILES notation for 3-bromo-9-(4-phenylphenyl)carbazole;methane;palladium;[9-(3-phenylphenyl)carbazol-3-yl]boronic acid;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;tetrakis(triphenylphosphane)?
The canonical SMILES for 3-bromo-9-(4-phenylphenyl)carbazole;methane;palladium;[9-(3-phenylphenyl)carbazol-3-yl]boronic acid;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;tetrakis(triphenylphosphane) is Brc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1.C.OB(O)c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccccc2)c1.[Pd].c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)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 3-bromo-9-(4-phenylphenyl)carbazole;methane;palladium;[9-(3-phenylphenyl)carbazol-3-yl]boronic acid;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;tetrakis(triphenylphosphane)?
The InChIKey is ADUJRJGOZCPBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2.C24H18BNO2.C24H16BrN.4C18H15P.CH4.Pd/c1-3-12-33(13-4-1)35-22-26-39(27-23-35)49-45-20-9-7-18-41(45)43-31-37(24-28-47(43)49)38-25-29-48-44(32-38)42-19-8-10-21-46(42)50(48)40-17-11-16-36(30-40)34-14-5-2-6-15-34;27-25(28)19-13-14-24-22(16-19)21-11-4-5-12-23(21)26(24)20-10-6-9-18(15-20)17-7-2-1-3-8-17;25-19-12-15-24-22(16-19)21-8-4-5-9-23(21)26(24)20-13-10-18(11-14-20)17-6-2-1-3-7-17;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-32H;1-16,27-28H;1-16H;4*1-15H;1H4;.
What are the key properties of 3-bromo-9-(4-phenylphenyl)carbazole;methane;palladium;[9-(3-phenylphenyl)carbazol-3-yl]boronic acid;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;tetrakis(triphenylphosphane)?
3-bromo-9-(4-phenylphenyl)carbazole;methane;palladium;[9-(3-phenylphenyl)carbazol-3-yl]boronic acid;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;tetrakis(triphenylphosphane) has a molecular weight of 2569.96 g/mol, XLogP of 38.64, 22 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-(4-phenylphenyl)carbazole;methane;palladium;[9-(3-phenylphenyl)carbazol-3-yl]boronic acid;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;tetrakis(triphenylphosphane) is sourced from PubChem (CID 157083258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).