1-ethynylpyrrole;3-methyl-1-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazo[4,5-b]pyridine-1,3-diium;platinum(2+);platinum(4+)

C42H25N5O2Pt2+2 — CID 168758457

IUPAC1-ethynylpyrrole;3-methyl-1-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazo[4,5-b]pyridine-1,3-diium;platinum(2+);platinum(4+)
SMILESC[N+]1=C=[N+](c2[c-]c(Oc3[c-]c(-c4cc(-c5[c-]c(Oc6[c-]cccc6)ccc5)[c-]cn4)ccc3)ccc2)c2cccnc21.[C-]#Cn1cccc1.[Pt+2].[Pt+4]
InChIInChI=1S/C36H21N4O2.C6H4N.2Pt/c1-39-25-40(35-17-8-19-38-36(35)39)29-11-7-16-33(24-29)42-32-15-6-10-28(22-32)34-23-27(18-20-37-34)26-9-5-14-31(21-26)41-30-12-3-2-4-13-30;1-2-7-5-3-4-6-7;;/h2-12,14-17,19-20,23H,1H3;3-6H;;/q-3;-1;+2;+4
InChIKeySNWPQMZVCMOWED-UHFFFAOYSA-N
MW1021.85 g/mol
LogP8.57
Rot. Bonds7

About 1-ethynylpyrrole;3-methyl-1-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazo[4,5-b]pyridine-1,3-diium;platinum(2+);platinum(4+)

1-ethynylpyrrole;3-methyl-1-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazo[4,5-b]pyridine-1,3-diium;platinum(2+);platinum(4+) (PubChem CID 168758457) has the molecular formula C42H25N5O2Pt2+2 and a molecular weight of 1021.85 g/mol. Its IUPAC name is 1-ethynylpyrrole;3-methyl-1-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazo[4,5-b]pyridine-1,3-diium;platinum(2+);platinum(4+).

Molecular Properties

Compound Name1-ethynylpyrrole;3-methyl-1-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazo[4,5-b]pyridine-1,3-diium;platinum(2+);platinum(4+)
PubChem CID168758457
Molecular FormulaC42H25N5O2Pt2+2
Molecular Weight1021.85 g/mol
Exact Mass1021.13
IUPAC Name1-ethynylpyrrole;3-methyl-1-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazo[4,5-b]pyridine-1,3-diium;platinum(2+);platinum(4+)
SMILESC[N+]1=C=[N+](c2[c-]c(Oc3[c-]c(-c4cc(-c5[c-]c(Oc6[c-]cccc6)ccc5)[c-]cn4)ccc3)ccc2)c2cccnc21.[C-]#Cn1cccc1.[Pt+2].[Pt+4]
InChIInChI=1S/C36H21N4O2.C6H4N.2Pt/c1-39-25-40(35-17-8-19-38-36(35)39)29-11-7-16-33(24-29)42-32-15-6-10-28(22-32)34-23-27(18-20-37-34)26-9-5-14-31(21-26)41-30-12-3-2-4-13-30;1-2-7-5-3-4-6-7;;/h2-12,14-17,19-20,23H,1H3;3-6H;;/q-3;-1;+2;+4
InChIKeySNWPQMZVCMOWED-UHFFFAOYSA-N
XLogP8.57
TPSA55.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.85
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethynylpyrrole;3-methyl-1-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazo[4,5-b]pyridine-1,3-diium;platinum(2+);platinum(4+)?
The IUPAC name of 1-ethynylpyrrole;3-methyl-1-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazo[4,5-b]pyridine-1,3-diium;platinum(2+);platinum(4+) (CID 168758457) is 1-ethynylpyrrole;3-methyl-1-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazo[4,5-b]pyridine-1,3-diium;platinum(2+);platinum(4+).
What is the SMILES notation for 1-ethynylpyrrole;3-methyl-1-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazo[4,5-b]pyridine-1,3-diium;platinum(2+);platinum(4+)?
The canonical SMILES for 1-ethynylpyrrole;3-methyl-1-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazo[4,5-b]pyridine-1,3-diium;platinum(2+);platinum(4+) is C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c(-c4cc(-c5[c-]c(Oc6[c-]cccc6)ccc5)[c-]cn4)ccc3)ccc2)c2cccnc21.[C-]#Cn1cccc1.[Pt+2].[Pt+4].
What is the InChIKey of 1-ethynylpyrrole;3-methyl-1-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazo[4,5-b]pyridine-1,3-diium;platinum(2+);platinum(4+)?
The InChIKey is SNWPQMZVCMOWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N4O2.C6H4N.2Pt/c1-39-25-40(35-17-8-19-38-36(35)39)29-11-7-16-33(24-29)42-32-15-6-10-28(22-32)34-23-27(18-20-37-34)26-9-5-14-31(21-26)41-30-12-3-2-4-13-30;1-2-7-5-3-4-6-7;;/h2-12,14-17,19-20,23H,1H3;3-6H;;/q-3;-1;+2;+4.
What are the key properties of 1-ethynylpyrrole;3-methyl-1-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazo[4,5-b]pyridine-1,3-diium;platinum(2+);platinum(4+)?
1-ethynylpyrrole;3-methyl-1-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazo[4,5-b]pyridine-1,3-diium;platinum(2+);platinum(4+) has a molecular weight of 1021.85 g/mol, XLogP of 8.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynylpyrrole;3-methyl-1-[3-[3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazo[4,5-b]pyridine-1,3-diium;platinum(2+);platinum(4+) is sourced from PubChem (CID 168758457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).