3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;3-(1,3-benzothiazol-2-yl)-4-methanidylchromen-2-one;bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);rhodium(3+)

C147H98Ir2N12O4RhS2+3 — CID 158453379

IUPAC3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;3-(1,3-benzothiazol-2-yl)-4-methanidylchromen-2-one;bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);rhodium(3+)
SMILESO=c1oc2ccccc2[c-]c1-c1nc2ccccc2s1.[CH2-]c1c(-c2nc3ccccc3s2)c(=O)oc2ccccc12.[Ir+3].[Ir+3].[Rh+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/2C24H16N2.C22H16N2.C17H10NO2S.C16H8NO2S.4C11H8N.2Ir.Rh/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;1-10-11-6-2-4-8-13(11)20-17(19)15(10)16-18-12-7-3-5-9-14(12)21-16;18-16-11(9-10-5-1-3-7-13(10)19-16)15-17-12-6-2-4-8-14(12)20-15;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h2*1-16H;1-16H;2-9H,1H2;1-8H;4*1-6,8-9H;;;/q;;;6*-1;3*+3
InChIKeyJXAISKFDUQLFGI-UHFFFAOYSA-N
MW2647.95 g/mol
LogP36.02
Rot. Bonds13

About 3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;3-(1,3-benzothiazol-2-yl)-4-methanidylchromen-2-one;bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);rhodium(3+)

3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;3-(1,3-benzothiazol-2-yl)-4-methanidylchromen-2-one;bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);rhodium(3+) (PubChem CID 158453379) has the molecular formula C147H98Ir2N12O4RhS2+3 and a molecular weight of 2647.95 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;3-(1,3-benzothiazol-2-yl)-4-methanidylchromen-2-one;bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);rhodium(3+).

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;3-(1,3-benzothiazol-2-yl)-4-methanidylchromen-2-one;bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);rhodium(3+)
PubChem CID158453379
Molecular FormulaC147H98Ir2N12O4RhS2+3
Molecular Weight2647.95 g/mol
Exact Mass2647.56
IUPAC Name3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;3-(1,3-benzothiazol-2-yl)-4-methanidylchromen-2-one;bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);rhodium(3+)
SMILESO=c1oc2ccccc2[c-]c1-c1nc2ccccc2s1.[CH2-]c1c(-c2nc3ccccc3s2)c(=O)oc2ccccc12.[Ir+3].[Ir+3].[Rh+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/2C24H16N2.C22H16N2.C17H10NO2S.C16H8NO2S.4C11H8N.2Ir.Rh/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;1-10-11-6-2-4-8-13(11)20-17(19)15(10)16-18-12-7-3-5-9-14(12)21-16;18-16-11(9-10-5-1-3-7-13(10)19-16)15-17-12-6-2-4-8-14(12)20-15;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h2*1-16H;1-16H;2-9H,1H2;1-8H;4*1-6,8-9H;;;/q;;;6*-1;3*+3
InChIKeyJXAISKFDUQLFGI-UHFFFAOYSA-N
XLogP36.02
TPSA215.10 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002647.95
LogP ≤ 536.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;3-(1,3-benzothiazol-2-yl)-4-methanidylchromen-2-one;bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);rhodium(3+) with MolForge

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Related Compounds

bis(3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one);bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));1,10-phenanthroline;tetrakis(2-phenylpyridine);rhodium(3+)
CID 162022968
2-(2H-dibenzofuran-2-id-1-yl)-1,3-benzothiazole;iridium;2-phenylpyridine
CID 176584077
iridium;2-phenylpyridine;2-pyridin-2-yl-1,3-benzothiazole
CID 58281788
2-[6-phenyl-3-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
CID 153285405
CID 160526789
CID 160526789
4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-2-phenylpyridine;iridium;2-phenylpyridine
CID 164802889
iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine
CID 166502440
3-(1,3-benzothiazol-2-yl)-7-(dimethylamino)-4H-chromen-4-id-2-one;tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 159619829
iridium(3+);tris(2-phenyl-1,3-benzothiazole)
CID 58969594
4-tert-butyl-6-(2-methyl-4H-pyridin-4-id-3-yl)pyrimidine;4,7-diphenyl-1,10-phenanthroline;bis(iridium);2-phenylpyridine
CID 158052506
2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
CID 153285077
10H-benzo[h]quinolin-10-ide;platinum(2+);3-pyridin-2-yl-4H-chromen-4-id-2-one
CID 59302090

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;3-(1,3-benzothiazol-2-yl)-4-methanidylchromen-2-one;bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);rhodium(3+)?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;3-(1,3-benzothiazol-2-yl)-4-methanidylchromen-2-one;bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);rhodium(3+) (CID 158453379) is 3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;3-(1,3-benzothiazol-2-yl)-4-methanidylchromen-2-one;bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);rhodium(3+).
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;3-(1,3-benzothiazol-2-yl)-4-methanidylchromen-2-one;bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);rhodium(3+)?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;3-(1,3-benzothiazol-2-yl)-4-methanidylchromen-2-one;bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);rhodium(3+) is O=c1oc2ccccc2[c-]c1-c1nc2ccccc2s1.[CH2-]c1c(-c2nc3ccccc3s2)c(=O)oc2ccccc12.[Ir+3].[Ir+3].[Rh+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;3-(1,3-benzothiazol-2-yl)-4-methanidylchromen-2-one;bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);rhodium(3+)?
The InChIKey is JXAISKFDUQLFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16N2.C22H16N2.C17H10NO2S.C16H8NO2S.4C11H8N.2Ir.Rh/c2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;1-10-11-6-2-4-8-13(11)20-17(19)15(10)16-18-12-7-3-5-9-14(12)21-16;18-16-11(9-10-5-1-3-7-13(10)19-16)15-17-12-6-2-4-8-14(12)20-15;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h2*1-16H;1-16H;2-9H,1H2;1-8H;4*1-6,8-9H;;;/q;;;6*-1;3*+3.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;3-(1,3-benzothiazol-2-yl)-4-methanidylchromen-2-one;bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);rhodium(3+)?
3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;3-(1,3-benzothiazol-2-yl)-4-methanidylchromen-2-one;bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);rhodium(3+) has a molecular weight of 2647.95 g/mol, XLogP of 36.02, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;3-(1,3-benzothiazol-2-yl)-4-methanidylchromen-2-one;bis(4,7-diphenyl-1,10-phenanthroline);bis(iridium(3+));4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;tetrakis(2-phenylpyridine);rhodium(3+) is sourced from PubChem (CID 158453379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).