2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-ide;2-(1H-carbazol-1-id-9-yl)-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;[[5,6-dimethyl-4-[3-(1-methyl-3H-indol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)benzene-2-id-1-yl]oxyphosphanium;gold;tris(gold(3+))

C146H100Au4N13O6P2 — CID 159278436

IUPAC2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-ide;2-(1H-carbazol-1-id-9-yl)-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;[[5,6-dimethyl-4-[3-(1-methyl-3H-indol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)benzene-2-id-1-yl]oxyphosphanium;gold;tris(gold(3+))
SMILESCCN(O[PH+](c1ccccc1)c1ccccc1)c1[c-]c2c(o1)c(C)c(C)n2-c1[c-]c(-c2cccc3c2[cH-]c[n+]3C)ccc1.Cn1cc[c-][n+]1-n1ccc2ccc(-n3c4[c-]c(-n5c6[c-]cccc6c6ccccc65)ccc4c4ccccc43)[c-]c21.[Au+3].[Au+3].[Au+3].[Au].[c-]1c(-c2cccc3cccnc23)cccc1N1c2[c-]c(-n3c4[c-]cccc4c4ccccc43)ccc2Oc2ccccc21.[c-]1c(O[PH+](c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1[c-]c2c(-n3[c-]ccc3)coc2o1
InChIInChI=1S/C39H22N3O.C37H32N3O2P.C36H22N5.C34H22N2O3P.4Au/c1-3-17-33-31(14-1)32-15-2-4-18-34(32)41(33)29-21-22-38-36(25-29)42(35-19-5-6-20-37(35)43-38)28-13-7-11-27(24-28)30-16-8-10-26-12-9-23-40-39(26)30;1-5-39(42-43(30-16-8-6-9-17-30)31-18-10-7-11-19-31)36-25-35-37(41-36)26(2)27(3)40(35)29-15-12-14-28(24-29)32-20-13-21-34-33(32)22-23-38(34)4;1-37-20-8-21-39(37)38-22-19-25-15-16-26(23-35(25)38)41-34-14-7-4-11-30(34)31-18-17-27(24-36(31)41)40-32-12-5-2-9-28(32)29-10-3-6-13-33(29)40;1-4-13-26(14-5-1)36(33-24-31-32(25-37-34(31)38-33)35-21-10-11-22-35)27-15-12-16-28(23-27)39-40(29-17-6-2-7-18-29)30-19-8-3-9-20-30;;;;/h1-17,19-23H;6-23H,5H2,1-4H3;2-12,14-20,22H,1H3;1-21,25H;;;;/q-3;-2;2*-3;;3*+3/p+2
InChIKeyZXAMRQSWQXXLDK-UHFFFAOYSA-P
MW2982.31 g/mol
LogP32.13
Rot. Bonds22

About 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-ide;2-(1H-carbazol-1-id-9-yl)-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;[[5,6-dimethyl-4-[3-(1-methyl-3H-indol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)benzene-2-id-1-yl]oxyphosphanium;gold;tris(gold(3+))

2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-ide;2-(1H-carbazol-1-id-9-yl)-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;[[5,6-dimethyl-4-[3-(1-methyl-3H-indol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)benzene-2-id-1-yl]oxyphosphanium;gold;tris(gold(3+)) (PubChem CID 159278436) has the molecular formula C146H100Au4N13O6P2 and a molecular weight of 2982.31 g/mol. Its IUPAC name is 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-ide;2-(1H-carbazol-1-id-9-yl)-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;[[5,6-dimethyl-4-[3-(1-methyl-3H-indol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)benzene-2-id-1-yl]oxyphosphanium;gold;tris(gold(3+)).

Molecular Properties

Compound Name2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-ide;2-(1H-carbazol-1-id-9-yl)-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;[[5,6-dimethyl-4-[3-(1-methyl-3H-indol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)benzene-2-id-1-yl]oxyphosphanium;gold;tris(gold(3+))
PubChem CID159278436
Molecular FormulaC146H100Au4N13O6P2
Molecular Weight2982.31 g/mol
Exact Mass2980.61
IUPAC Name2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-ide;2-(1H-carbazol-1-id-9-yl)-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;[[5,6-dimethyl-4-[3-(1-methyl-3H-indol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)benzene-2-id-1-yl]oxyphosphanium;gold;tris(gold(3+))
SMILESCCN(O[PH+](c1ccccc1)c1ccccc1)c1[c-]c2c(o1)c(C)c(C)n2-c1[c-]c(-c2cccc3c2[cH-]c[n+]3C)ccc1.Cn1cc[c-][n+]1-n1ccc2ccc(-n3c4[c-]c(-n5c6[c-]cccc6c6ccccc65)ccc4c4ccccc43)[c-]c21.[Au+3].[Au+3].[Au+3].[Au].[c-]1c(-c2cccc3cccnc23)cccc1N1c2[c-]c(-n3c4[c-]cccc4c4ccccc43)ccc2Oc2ccccc21.[c-]1c(O[PH+](c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1[c-]c2c(-n3[c-]ccc3)coc2o1
InChIInChI=1S/C39H22N3O.C37H32N3O2P.C36H22N5.C34H22N2O3P.4Au/c1-3-17-33-31(14-1)32-15-2-4-18-34(32)41(33)29-21-22-38-36(25-29)42(35-19-5-6-20-37(35)43-38)28-13-7-11-27(24-28)30-16-8-10-26-12-9-23-40-39(26)30;1-5-39(42-43(30-16-8-6-9-17-30)31-18-10-7-11-19-31)36-25-35-37(41-36)26(2)27(3)40(35)29-15-12-14-28(24-29)32-20-13-21-34-33(32)22-23-38(34)4;1-37-20-8-21-39(37)38-22-19-25-15-16-26(23-35(25)38)41-34-14-7-4-11-30(34)31-18-17-27(24-36(31)41)40-32-12-5-2-9-28(32)29-10-3-6-13-33(29)40;1-4-13-26(14-5-1)36(33-24-31-32(25-37-34(31)38-33)35-21-10-11-22-35)27-15-12-16-28(23-27)39-40(29-17-6-2-7-18-29)30-19-8-3-9-20-30;;;;/h1-17,19-23H;6-23H,5H2,1-4H3;2-12,14-20,22H,1H3;1-21,25H;;;;/q-3;-2;2*-3;;3*+3/p+2
InChIKeyZXAMRQSWQXXLDK-UHFFFAOYSA-P
XLogP32.13
TPSA131.99 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002982.31
LogP ≤ 532.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-ide;2-(1H-carbazol-1-id-9-yl)-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;[[5,6-dimethyl-4-[3-(1-methyl-3H-indol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)benzene-2-id-1-yl]oxyphosphanium;gold;tris(gold(3+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-ide;2-(1H-carbazol-1-id-9-yl)-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;[[5,6-dimethyl-4-[3-(1-methyl-3H-indol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)benzene-2-id-1-yl]oxyphosphanium;gold;tris(gold(3+))?
The IUPAC name of 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-ide;2-(1H-carbazol-1-id-9-yl)-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;[[5,6-dimethyl-4-[3-(1-methyl-3H-indol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)benzene-2-id-1-yl]oxyphosphanium;gold;tris(gold(3+)) (CID 159278436) is 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-ide;2-(1H-carbazol-1-id-9-yl)-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;[[5,6-dimethyl-4-[3-(1-methyl-3H-indol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)benzene-2-id-1-yl]oxyphosphanium;gold;tris(gold(3+)).
What is the SMILES notation for 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-ide;2-(1H-carbazol-1-id-9-yl)-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;[[5,6-dimethyl-4-[3-(1-methyl-3H-indol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)benzene-2-id-1-yl]oxyphosphanium;gold;tris(gold(3+))?
The canonical SMILES for 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-ide;2-(1H-carbazol-1-id-9-yl)-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;[[5,6-dimethyl-4-[3-(1-methyl-3H-indol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)benzene-2-id-1-yl]oxyphosphanium;gold;tris(gold(3+)) is CCN(O[PH+](c1ccccc1)c1ccccc1)c1[c-]c2c(o1)c(C)c(C)n2-c1[c-]c(-c2cccc3c2[cH-]c[n+]3C)ccc1.Cn1cc[c-][n+]1-n1ccc2ccc(-n3c4[c-]c(-n5c6[c-]cccc6c6ccccc65)ccc4c4ccccc43)[c-]c21.[Au+3].[Au+3].[Au+3].[Au].[c-]1c(-c2cccc3cccnc23)cccc1N1c2[c-]c(-n3c4[c-]cccc4c4ccccc43)ccc2Oc2ccccc21.[c-]1c(O[PH+](c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1[c-]c2c(-n3[c-]ccc3)coc2o1.
What is the InChIKey of 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-ide;2-(1H-carbazol-1-id-9-yl)-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;[[5,6-dimethyl-4-[3-(1-methyl-3H-indol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)benzene-2-id-1-yl]oxyphosphanium;gold;tris(gold(3+))?
The InChIKey is ZXAMRQSWQXXLDK-UHFFFAOYSA-P. The full InChI is InChI=1S/C39H22N3O.C37H32N3O2P.C36H22N5.C34H22N2O3P.4Au/c1-3-17-33-31(14-1)32-15-2-4-18-34(32)41(33)29-21-22-38-36(25-29)42(35-19-5-6-20-37(35)43-38)28-13-7-11-27(24-28)30-16-8-10-26-12-9-23-40-39(26)30;1-5-39(42-43(30-16-8-6-9-17-30)31-18-10-7-11-19-31)36-25-35-37(41-36)26(2)27(3)40(35)29-15-12-14-28(24-29)32-20-13-21-34-33(32)22-23-38(34)4;1-37-20-8-21-39(37)38-22-19-25-15-16-26(23-35(25)38)41-34-14-7-4-11-30(34)31-18-17-27(24-36(31)41)40-32-12-5-2-9-28(32)29-10-3-6-13-33(29)40;1-4-13-26(14-5-1)36(33-24-31-32(25-37-34(31)38-33)35-21-10-11-22-35)27-15-12-16-28(23-27)39-40(29-17-6-2-7-18-29)30-19-8-3-9-20-30;;;;/h1-17,19-23H;6-23H,5H2,1-4H3;2-12,14-20,22H,1H3;1-21,25H;;;;/q-3;-2;2*-3;;3*+3/p+2.
What are the key properties of 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-ide;2-(1H-carbazol-1-id-9-yl)-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;[[5,6-dimethyl-4-[3-(1-methyl-3H-indol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)benzene-2-id-1-yl]oxyphosphanium;gold;tris(gold(3+))?
2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-ide;2-(1H-carbazol-1-id-9-yl)-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;[[5,6-dimethyl-4-[3-(1-methyl-3H-indol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)benzene-2-id-1-yl]oxyphosphanium;gold;tris(gold(3+)) has a molecular weight of 2982.31 g/mol, XLogP of 32.13, 22 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrazol-2-ium-3-id-2-yl)-7H-indol-7-id-6-yl]-1H-carbazol-1-ide;2-(1H-carbazol-1-id-9-yl)-10-(3-quinolin-8-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;[[5,6-dimethyl-4-[3-(1-methyl-3H-indol-1-ium-3-id-4-yl)benzene-2-id-1-yl]-3H-furo[3,2-b]pyrrol-3-id-2-yl]-ethylamino]oxy-diphenylphosphanium;diphenyl-[3-(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)benzene-2-id-1-yl]oxyphosphanium;gold;tris(gold(3+)) is sourced from PubChem (CID 159278436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).