aniline;1-bromo-4-iodobenzene;4-(4-bromophenyl)dibenzofuran;dibenzofuran-4-ylboronic acid;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;palladium;1-phenyl-3-(3-phenylphenyl)benzene;tetrakis(triphenylphosphane)

C186H139BBr2IN3O5P4Pd — CID 160881465

IUPACaniline;1-bromo-4-iodobenzene;4-(4-bromophenyl)dibenzofuran;dibenzofuran-4-ylboronic acid;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;palladium;1-phenyl-3-(3-phenylphenyl)benzene;tetrakis(triphenylphosphane)
SMILESBrc1ccc(-c2cccc3c2oc2ccccc23)cc1.Brc1ccc(I)cc1.Nc1ccccc1.OB(O)c1cccc2c1oc1ccccc12.[Pd].c1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc32)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H30N2O.C24H18.C18H11BrO.4C18H15P.C12H9BO3.C6H4BrI.C6H7N.Pd/c1-2-11-34(12-3-1)49-43-18-7-4-13-37(43)41-29-32(23-27-45(41)49)33-24-28-46-42(30-33)38-14-5-8-19-44(38)50(46)35-25-21-31(22-26-35)36-16-10-17-40-39-15-6-9-20-47(39)51-48(36)40;1-3-9-19(10-4-1)21-13-7-15-23(17-21)24-16-8-14-22(18-24)20-11-5-2-6-12-20;19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10;7-5-1-3-6(8)4-2-5;7-6-4-2-1-3-5-6;/h1-30H;1-18H;1-11H;4*1-15H;1-7,14-15H;1-4H;1-5H,7H2;
InChIKeySNBVRCSDCZLNQT-UHFFFAOYSA-N
MW3024.01 g/mol
LogP45.18
Rot. Bonds21

About aniline;1-bromo-4-iodobenzene;4-(4-bromophenyl)dibenzofuran;dibenzofuran-4-ylboronic acid;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;palladium;1-phenyl-3-(3-phenylphenyl)benzene;tetrakis(triphenylphosphane)

aniline;1-bromo-4-iodobenzene;4-(4-bromophenyl)dibenzofuran;dibenzofuran-4-ylboronic acid;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;palladium;1-phenyl-3-(3-phenylphenyl)benzene;tetrakis(triphenylphosphane) (PubChem CID 160881465) has the molecular formula C186H139BBr2IN3O5P4Pd and a molecular weight of 3024.01 g/mol. Its IUPAC name is aniline;1-bromo-4-iodobenzene;4-(4-bromophenyl)dibenzofuran;dibenzofuran-4-ylboronic acid;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;palladium;1-phenyl-3-(3-phenylphenyl)benzene;tetrakis(triphenylphosphane).

Molecular Properties

Compound Nameaniline;1-bromo-4-iodobenzene;4-(4-bromophenyl)dibenzofuran;dibenzofuran-4-ylboronic acid;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;palladium;1-phenyl-3-(3-phenylphenyl)benzene;tetrakis(triphenylphosphane)
PubChem CID160881465
Molecular FormulaC186H139BBr2IN3O5P4Pd
Molecular Weight3024.01 g/mol
Exact Mass3019.62
IUPAC Nameaniline;1-bromo-4-iodobenzene;4-(4-bromophenyl)dibenzofuran;dibenzofuran-4-ylboronic acid;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;palladium;1-phenyl-3-(3-phenylphenyl)benzene;tetrakis(triphenylphosphane)
SMILESBrc1ccc(-c2cccc3c2oc2ccccc23)cc1.Brc1ccc(I)cc1.Nc1ccccc1.OB(O)c1cccc2c1oc1ccccc12.[Pd].c1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc32)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H30N2O.C24H18.C18H11BrO.4C18H15P.C12H9BO3.C6H4BrI.C6H7N.Pd/c1-2-11-34(12-3-1)49-43-18-7-4-13-37(43)41-29-32(23-27-45(41)49)33-24-28-46-42(30-33)38-14-5-8-19-44(38)50(46)35-25-21-31(22-26-35)36-16-10-17-40-39-15-6-9-20-47(39)51-48(36)40;1-3-9-19(10-4-1)21-13-7-15-23(17-21)24-16-8-14-22(18-24)20-11-5-2-6-12-20;19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10;7-5-1-3-6(8)4-2-5;7-6-4-2-1-3-5-6;/h1-30H;1-18H;1-11H;4*1-15H;1-7,14-15H;1-4H;1-5H,7H2;
InChIKeySNBVRCSDCZLNQT-UHFFFAOYSA-N
XLogP45.18
TPSA115.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms203
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003024.01
LogP ≤ 545.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze aniline;1-bromo-4-iodobenzene;4-(4-bromophenyl)dibenzofuran;dibenzofuran-4-ylboronic acid;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;palladium;1-phenyl-3-(3-phenylphenyl)benzene;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158714965
9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole
CID 118402480
9-(4-bromophenyl)carbazole;9-[4-(4-bromophenyl)phenyl]carbazole;9-[4-(4-bromophenyl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-(4-bromophenyl)phenyl]-3-iodocarbazole;(4-carbazol-9-ylphenyl)boronic acid;[4-(5-phenylthiophen-2-yl)phenyl]boronic acid
CID 160832433
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
aniline;3-benzyl-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-bromo-9H-carbazole;3-bromo-9-(4-dibenzofuran-4-ylphenyl)carbazole;1-bromo-4-(4-ethenylphenyl)benzene;dibenzofuran-4-ylboronic acid;1-fluoro-4-iodobenzene;4-(4-fluorophenyl)dibenzofuran
CID 158298318
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
CID 58536218
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-[9-dibenzofuran-4-yl-6-[3-[8-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole
CID 137420572
9-phenyl-3-[3-(6-phenyldibenzofuran-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492344
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197

Frequently Asked Questions

What is the IUPAC name of aniline;1-bromo-4-iodobenzene;4-(4-bromophenyl)dibenzofuran;dibenzofuran-4-ylboronic acid;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;palladium;1-phenyl-3-(3-phenylphenyl)benzene;tetrakis(triphenylphosphane)?
The IUPAC name of aniline;1-bromo-4-iodobenzene;4-(4-bromophenyl)dibenzofuran;dibenzofuran-4-ylboronic acid;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;palladium;1-phenyl-3-(3-phenylphenyl)benzene;tetrakis(triphenylphosphane) (CID 160881465) is aniline;1-bromo-4-iodobenzene;4-(4-bromophenyl)dibenzofuran;dibenzofuran-4-ylboronic acid;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;palladium;1-phenyl-3-(3-phenylphenyl)benzene;tetrakis(triphenylphosphane).
What is the SMILES notation for aniline;1-bromo-4-iodobenzene;4-(4-bromophenyl)dibenzofuran;dibenzofuran-4-ylboronic acid;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;palladium;1-phenyl-3-(3-phenylphenyl)benzene;tetrakis(triphenylphosphane)?
The canonical SMILES for aniline;1-bromo-4-iodobenzene;4-(4-bromophenyl)dibenzofuran;dibenzofuran-4-ylboronic acid;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;palladium;1-phenyl-3-(3-phenylphenyl)benzene;tetrakis(triphenylphosphane) is Brc1ccc(-c2cccc3c2oc2ccccc23)cc1.Brc1ccc(I)cc1.Nc1ccccc1.OB(O)c1cccc2c1oc1ccccc12.[Pd].c1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc32)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 aniline;1-bromo-4-iodobenzene;4-(4-bromophenyl)dibenzofuran;dibenzofuran-4-ylboronic acid;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;palladium;1-phenyl-3-(3-phenylphenyl)benzene;tetrakis(triphenylphosphane)?
The InChIKey is SNBVRCSDCZLNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O.C24H18.C18H11BrO.4C18H15P.C12H9BO3.C6H4BrI.C6H7N.Pd/c1-2-11-34(12-3-1)49-43-18-7-4-13-37(43)41-29-32(23-27-45(41)49)33-24-28-46-42(30-33)38-14-5-8-19-44(38)50(46)35-25-21-31(22-26-35)36-16-10-17-40-39-15-6-9-20-47(39)51-48(36)40;1-3-9-19(10-4-1)21-13-7-15-23(17-21)24-16-8-14-22(18-24)20-11-5-2-6-12-20;19-13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)20-18(14)16;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10;7-5-1-3-6(8)4-2-5;7-6-4-2-1-3-5-6;/h1-30H;1-18H;1-11H;4*1-15H;1-7,14-15H;1-4H;1-5H,7H2;.
What are the key properties of aniline;1-bromo-4-iodobenzene;4-(4-bromophenyl)dibenzofuran;dibenzofuran-4-ylboronic acid;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;palladium;1-phenyl-3-(3-phenylphenyl)benzene;tetrakis(triphenylphosphane)?
aniline;1-bromo-4-iodobenzene;4-(4-bromophenyl)dibenzofuran;dibenzofuran-4-ylboronic acid;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;palladium;1-phenyl-3-(3-phenylphenyl)benzene;tetrakis(triphenylphosphane) has a molecular weight of 3024.01 g/mol, XLogP of 45.18, 21 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;1-bromo-4-iodobenzene;4-(4-bromophenyl)dibenzofuran;dibenzofuran-4-ylboronic acid;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;palladium;1-phenyl-3-(3-phenylphenyl)benzene;tetrakis(triphenylphosphane) is sourced from PubChem (CID 160881465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).