6-bromo-9-phenylpyrido[3,4-b]indole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole;tetrakis(triphenylphosphane)

C154H116BBrN6O2P4Pd — CID 161448374

IUPAC6-bromo-9-phenylpyrido[3,4-b]indole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole;tetrakis(triphenylphosphane)
SMILESBrc1ccc2c(c1)c1ccncc1n2-c1ccccc1.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1.[Pd].c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccncc5n6-c5ccccc5)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/C41H27N3.C24H18BNO2.4C18H15P.C17H11BrN2.Pd/c1-3-9-28(10-4-1)29-15-19-33(20-16-29)43-38-14-8-7-13-34(38)36-25-30(17-21-39(36)43)31-18-22-40-37(26-31)35-23-24-42-27-41(35)44(40)32-11-5-2-6-12-32;27-25(28)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;18-12-6-7-16-15(10-12)14-8-9-19-11-17(14)20(16)13-4-2-1-3-5-13;/h1-27H;1-16,27-28H;4*1-15H;1-11H;
InChIKeyWAESYKWNASRLGN-UHFFFAOYSA-N
MW2403.69 g/mol
LogP33.46
Rot. Bonds20

About 6-bromo-9-phenylpyrido[3,4-b]indole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole;tetrakis(triphenylphosphane)

6-bromo-9-phenylpyrido[3,4-b]indole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole;tetrakis(triphenylphosphane) (PubChem CID 161448374) has the molecular formula C154H116BBrN6O2P4Pd and a molecular weight of 2403.69 g/mol. Its IUPAC name is 6-bromo-9-phenylpyrido[3,4-b]indole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name6-bromo-9-phenylpyrido[3,4-b]indole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole;tetrakis(triphenylphosphane)
PubChem CID161448374
Molecular FormulaC154H116BBrN6O2P4Pd
Molecular Weight2403.69 g/mol
Exact Mass2400.64
IUPAC Name6-bromo-9-phenylpyrido[3,4-b]indole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole;tetrakis(triphenylphosphane)
SMILESBrc1ccc2c(c1)c1ccncc1n2-c1ccccc1.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1.[Pd].c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccncc5n6-c5ccccc5)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/C41H27N3.C24H18BNO2.4C18H15P.C17H11BrN2.Pd/c1-3-9-28(10-4-1)29-15-19-33(20-16-29)43-38-14-8-7-13-34(38)36-25-30(17-21-39(36)43)31-18-22-40-37(26-31)35-23-24-42-27-41(35)44(40)32-11-5-2-6-12-32;27-25(28)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;18-12-6-7-16-15(10-12)14-8-9-19-11-17(14)20(16)13-4-2-1-3-5-13;/h1-27H;1-16,27-28H;4*1-15H;1-11H;
InChIKeyWAESYKWNASRLGN-UHFFFAOYSA-N
XLogP33.46
TPSA85.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002403.69
LogP ≤ 533.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-bromo-9-phenylpyrido[3,4-b]indole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 90336623
9-(3-phenylphenyl)-6-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]pyrido[3,4-b]indole
CID 146187368
4-bromobenzonitrile;4-(9-phenylcarbazol-3-yl)benzonitrile;(9-phenylcarbazol-3-yl)boronic acid
CID 157177412
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
(6,9-diphenylcarbazol-2-yl)boronic acid
CID 86770794
3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole
CID 159531032
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
buta-1,3-diene;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid
CID 145148607
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole
CID 70663911
N-(4-bromophenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;(9-phenylcarbazol-3-yl)boronic acid;uranium
CID 162231058

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-phenylpyrido[3,4-b]indole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole;tetrakis(triphenylphosphane)?
The IUPAC name of 6-bromo-9-phenylpyrido[3,4-b]indole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole;tetrakis(triphenylphosphane) (CID 161448374) is 6-bromo-9-phenylpyrido[3,4-b]indole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole;tetrakis(triphenylphosphane).
What is the SMILES notation for 6-bromo-9-phenylpyrido[3,4-b]indole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole;tetrakis(triphenylphosphane)?
The canonical SMILES for 6-bromo-9-phenylpyrido[3,4-b]indole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole;tetrakis(triphenylphosphane) is Brc1ccc2c(c1)c1ccncc1n2-c1ccccc1.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1.[Pd].c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccncc5n6-c5ccccc5)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 6-bromo-9-phenylpyrido[3,4-b]indole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole;tetrakis(triphenylphosphane)?
The InChIKey is WAESYKWNASRLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3.C24H18BNO2.4C18H15P.C17H11BrN2.Pd/c1-3-9-28(10-4-1)29-15-19-33(20-16-29)43-38-14-8-7-13-34(38)36-25-30(17-21-39(36)43)31-18-22-40-37(26-31)35-23-24-42-27-41(35)44(40)32-11-5-2-6-12-32;27-25(28)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;18-12-6-7-16-15(10-12)14-8-9-19-11-17(14)20(16)13-4-2-1-3-5-13;/h1-27H;1-16,27-28H;4*1-15H;1-11H;.
What are the key properties of 6-bromo-9-phenylpyrido[3,4-b]indole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole;tetrakis(triphenylphosphane)?
6-bromo-9-phenylpyrido[3,4-b]indole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole;tetrakis(triphenylphosphane) has a molecular weight of 2403.69 g/mol, XLogP of 33.46, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-phenylpyrido[3,4-b]indole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole;tetrakis(triphenylphosphane) is sourced from PubChem (CID 161448374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).