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2-[2,2-bis(furan-3-yl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C46H29N4O2Pt-3 — CID 176871608

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[2,2-bis(furan-3-yl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
SMILES[Pt].[c-]1c(C(=C(c2ccoc2)c2ccoc2)c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1N1[CH-]N(c2ccccc2)c2ccccc21
InChIInChI=1S/C46H29N4O2.Pt/c1-2-12-36(13-3-1)48-31-49(42-18-7-6-17-41(42)48)37-14-10-11-32(27-37)45(46(34-22-25-51-29-34)35-23-26-52-30-35)33-20-21-39-38-15-4-5-16-40(38)50(43(39)28-33)44-19-8-9-24-47-44;/h1-26,29-31H;/q-3;
InChIKeyVXYHQPOSEFVVRY-UHFFFAOYSA-N
MW864.84 g/mol
LogP11.38
Rot. Bonds7

About 2-[2,2-bis(furan-3-yl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

2-[2,2-bis(furan-3-yl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 176871608) has the molecular formula C46H29N4O2Pt-3 and a molecular weight of 864.84 g/mol. Its IUPAC name is 2-[2,2-bis(furan-3-yl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name2-[2,2-bis(furan-3-yl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
PubChem CID176871608
Molecular FormulaC46H29N4O2Pt-3
Molecular Weight864.84 g/mol
Exact Mass864.20
IUPAC Name2-[2,2-bis(furan-3-yl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
SMILES[Pt].[c-]1c(C(=C(c2ccoc2)c2ccoc2)c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1N1[CH-]N(c2ccccc2)c2ccccc21
InChIInChI=1S/C46H29N4O2.Pt/c1-2-12-36(13-3-1)48-31-49(42-18-7-6-17-41(42)48)37-14-10-11-32(27-37)45(46(34-22-25-51-29-34)35-23-26-52-30-35)33-20-21-39-38-15-4-5-16-40(38)50(43(39)28-33)44-19-8-9-24-47-44;/h1-26,29-31H;/q-3;
InChIKeyVXYHQPOSEFVVRY-UHFFFAOYSA-N
XLogP11.38
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.84
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(furan-3-yl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[2,2-bis(furan-3-yl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 176871608) is 2-[2,2-bis(furan-3-yl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[2,2-bis(furan-3-yl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[2,2-bis(furan-3-yl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is [Pt].[c-]1c(C(=C(c2ccoc2)c2ccoc2)c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1N1[CH-]N(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[2,2-bis(furan-3-yl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?
The InChIKey is VXYHQPOSEFVVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N4O2.Pt/c1-2-12-36(13-3-1)48-31-49(42-18-7-6-17-41(42)48)37-14-10-11-32(27-37)45(46(34-22-25-51-29-34)35-23-26-52-30-35)33-20-21-39-38-15-4-5-16-40(38)50(43(39)28-33)44-19-8-9-24-47-44;/h1-26,29-31H;/q-3;.
What are the key properties of 2-[2,2-bis(furan-3-yl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?
2-[2,2-bis(furan-3-yl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 864.84 g/mol, XLogP of 11.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(furan-3-yl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176871608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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