5-bromo-1,2-diphenylbenzimidazole;3-(1,2-diphenylbenzimidazol-5-yl)-9-(4-phenylphenyl)carbazole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;tetrakis(triphenylphosphane)

C158H120BBrN6O2P4Pd — CID 157100935

IUPAC5-bromo-1,2-diphenylbenzimidazole;3-(1,2-diphenylbenzimidazol-5-yl)-9-(4-phenylphenyl)carbazole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;tetrakis(triphenylphosphane)
SMILESBrc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1.[Pd].c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)nc(-c5ccccc5)n6-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/C43H29N3.C24H18BNO2.C19H13BrN2.4C18H15P.Pd/c1-4-12-30(13-5-1)31-20-24-36(25-21-31)45-40-19-11-10-18-37(40)38-28-33(22-26-41(38)45)34-23-27-42-39(29-34)44-43(32-14-6-2-7-15-32)46(42)35-16-8-3-9-17-35;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;20-15-11-12-18-17(13-15)21-19(14-7-3-1-4-8-14)22(18)16-9-5-2-6-10-16;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-29H;1-16,27-28H;1-13H;4*1-15H;
InChIKeyAFTFKPOSCDKWKE-UHFFFAOYSA-N
MW2455.77 g/mol
LogP34.49
Rot. Bonds22

About 5-bromo-1,2-diphenylbenzimidazole;3-(1,2-diphenylbenzimidazol-5-yl)-9-(4-phenylphenyl)carbazole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;tetrakis(triphenylphosphane)

5-bromo-1,2-diphenylbenzimidazole;3-(1,2-diphenylbenzimidazol-5-yl)-9-(4-phenylphenyl)carbazole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;tetrakis(triphenylphosphane) (PubChem CID 157100935) has the molecular formula C158H120BBrN6O2P4Pd and a molecular weight of 2455.77 g/mol. Its IUPAC name is 5-bromo-1,2-diphenylbenzimidazole;3-(1,2-diphenylbenzimidazol-5-yl)-9-(4-phenylphenyl)carbazole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name5-bromo-1,2-diphenylbenzimidazole;3-(1,2-diphenylbenzimidazol-5-yl)-9-(4-phenylphenyl)carbazole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;tetrakis(triphenylphosphane)
PubChem CID157100935
Molecular FormulaC158H120BBrN6O2P4Pd
Molecular Weight2455.77 g/mol
Exact Mass2452.67
IUPAC Name5-bromo-1,2-diphenylbenzimidazole;3-(1,2-diphenylbenzimidazol-5-yl)-9-(4-phenylphenyl)carbazole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;tetrakis(triphenylphosphane)
SMILESBrc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1.[Pd].c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)nc(-c5ccccc5)n6-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/C43H29N3.C24H18BNO2.C19H13BrN2.4C18H15P.Pd/c1-4-12-30(13-5-1)31-20-24-36(25-21-31)45-40-19-11-10-18-37(40)38-28-33(22-26-41(38)45)34-23-27-42-39(29-34)44-43(32-14-6-2-7-15-32)46(42)35-16-8-3-9-17-35;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;20-15-11-12-18-17(13-15)21-19(14-7-3-1-4-8-14)22(18)16-9-5-2-6-10-16;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-29H;1-16,27-28H;1-13H;4*1-15H;
InChIKeyAFTFKPOSCDKWKE-UHFFFAOYSA-N
XLogP34.49
TPSA85.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002455.77
LogP ≤ 534.49
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'}

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Related Compounds

9-[3-Carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500839
9-[4-[3-Carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500852
3-[3-Carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole
CID 58500855
9-[3-[3-Bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 58500867
3-[3-(3-Carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole
CID 58500899
3-[3-[3,5-Di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-9-phenylcarbazole
CID 58500923
3-[9-[4-(1-Phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 68191335
3-Phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 88866634
3,9-Diphenyl-6-[3-phenyl-6-[6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]carbazole
CID 88866637
3,9-Diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole
CID 88866647
9-[4,6-Bis(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 89419709
3-[9-[4-(1-Phenylbenzimidazol-2-yl)phenyl]-5,6-dihydrocarbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,2-diphenylbenzimidazole;3-(1,2-diphenylbenzimidazol-5-yl)-9-(4-phenylphenyl)carbazole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;tetrakis(triphenylphosphane)?
The IUPAC name of 5-bromo-1,2-diphenylbenzimidazole;3-(1,2-diphenylbenzimidazol-5-yl)-9-(4-phenylphenyl)carbazole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;tetrakis(triphenylphosphane) (CID 157100935) is 5-bromo-1,2-diphenylbenzimidazole;3-(1,2-diphenylbenzimidazol-5-yl)-9-(4-phenylphenyl)carbazole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;tetrakis(triphenylphosphane).
What is the SMILES notation for 5-bromo-1,2-diphenylbenzimidazole;3-(1,2-diphenylbenzimidazol-5-yl)-9-(4-phenylphenyl)carbazole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;tetrakis(triphenylphosphane)?
The canonical SMILES for 5-bromo-1,2-diphenylbenzimidazole;3-(1,2-diphenylbenzimidazol-5-yl)-9-(4-phenylphenyl)carbazole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;tetrakis(triphenylphosphane) is Brc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1.OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1.[Pd].c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)nc(-c5ccccc5)n6-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 5-bromo-1,2-diphenylbenzimidazole;3-(1,2-diphenylbenzimidazol-5-yl)-9-(4-phenylphenyl)carbazole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;tetrakis(triphenylphosphane)?
The InChIKey is AFTFKPOSCDKWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3.C24H18BNO2.C19H13BrN2.4C18H15P.Pd/c1-4-12-30(13-5-1)31-20-24-36(25-21-31)45-40-19-11-10-18-37(40)38-28-33(22-26-41(38)45)34-23-27-42-39(29-34)44-43(32-14-6-2-7-15-32)46(42)35-16-8-3-9-17-35;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;20-15-11-12-18-17(13-15)21-19(14-7-3-1-4-8-14)22(18)16-9-5-2-6-10-16;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-29H;1-16,27-28H;1-13H;4*1-15H;.
What are the key properties of 5-bromo-1,2-diphenylbenzimidazole;3-(1,2-diphenylbenzimidazol-5-yl)-9-(4-phenylphenyl)carbazole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;tetrakis(triphenylphosphane)?
5-bromo-1,2-diphenylbenzimidazole;3-(1,2-diphenylbenzimidazol-5-yl)-9-(4-phenylphenyl)carbazole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;tetrakis(triphenylphosphane) has a molecular weight of 2455.77 g/mol, XLogP of 34.49, 22 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,2-diphenylbenzimidazole;3-(1,2-diphenylbenzimidazol-5-yl)-9-(4-phenylphenyl)carbazole;palladium;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;tetrakis(triphenylphosphane) is sourced from PubChem (CID 157100935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).