2-(9,9-dimethyl-4-pyrazin-2-yl-2,5-dihydrocyclopenta[b]quinolin-5-id-6-yl)quinolin-8-ol;platinum

C27H21N4OPt- — CID 171580311

IUPAC2-(9,9-dimethyl-4-pyrazin-2-yl-2,5-dihydrocyclopenta[b]quinolin-5-id-6-yl)quinolin-8-ol;platinum
SMILESCC1(C)C2=CCC=C2N(c2cnccn2)c2[c-]c(-c3ccc4cccc(O)c4n3)ccc21.[Pt]
InChIInChI=1S/C27H21N4O.Pt/c1-27(2)19-6-4-7-22(19)31(25-16-28-13-14-29-25)23-15-18(9-11-20(23)27)21-12-10-17-5-3-8-24(32)26(17)30-21;/h3,5-14,16,32H,4H2,1-2H3;/q-1;
InChIKeyKUHTVTUXGKUOSQ-UHFFFAOYSA-N
MW612.57 g/mol
LogP5.84
Rot. Bonds2

About 2-(9,9-dimethyl-4-pyrazin-2-yl-2,5-dihydrocyclopenta[b]quinolin-5-id-6-yl)quinolin-8-ol;platinum

2-(9,9-dimethyl-4-pyrazin-2-yl-2,5-dihydrocyclopenta[b]quinolin-5-id-6-yl)quinolin-8-ol;platinum (PubChem CID 171580311) has the molecular formula C27H21N4OPt- and a molecular weight of 612.57 g/mol. Its IUPAC name is 2-(9,9-dimethyl-4-pyrazin-2-yl-2,5-dihydrocyclopenta[b]quinolin-5-id-6-yl)quinolin-8-ol;platinum.

Molecular Properties

Compound Name2-(9,9-dimethyl-4-pyrazin-2-yl-2,5-dihydrocyclopenta[b]quinolin-5-id-6-yl)quinolin-8-ol;platinum
PubChem CID171580311
Molecular FormulaC27H21N4OPt-
Molecular Weight612.57 g/mol
Exact Mass612.14
IUPAC Name2-(9,9-dimethyl-4-pyrazin-2-yl-2,5-dihydrocyclopenta[b]quinolin-5-id-6-yl)quinolin-8-ol;platinum
SMILESCC1(C)C2=CCC=C2N(c2cnccn2)c2[c-]c(-c3ccc4cccc(O)c4n3)ccc21.[Pt]
InChIInChI=1S/C27H21N4O.Pt/c1-27(2)19-6-4-7-22(19)31(25-16-28-13-14-29-25)23-15-18(9-11-20(23)27)21-12-10-17-5-3-8-24(32)26(17)30-21;/h3,5-14,16,32H,4H2,1-2H3;/q-1;
InChIKeyKUHTVTUXGKUOSQ-UHFFFAOYSA-N
XLogP5.84
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.57
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(9,9-dimethyl-4-pyrazin-2-yl-2,5-dihydrocyclopenta[b]quinolin-5-id-6-yl)quinolin-8-ol;platinum?
The IUPAC name of 2-(9,9-dimethyl-4-pyrazin-2-yl-2,5-dihydrocyclopenta[b]quinolin-5-id-6-yl)quinolin-8-ol;platinum (CID 171580311) is 2-(9,9-dimethyl-4-pyrazin-2-yl-2,5-dihydrocyclopenta[b]quinolin-5-id-6-yl)quinolin-8-ol;platinum.
What is the SMILES notation for 2-(9,9-dimethyl-4-pyrazin-2-yl-2,5-dihydrocyclopenta[b]quinolin-5-id-6-yl)quinolin-8-ol;platinum?
The canonical SMILES for 2-(9,9-dimethyl-4-pyrazin-2-yl-2,5-dihydrocyclopenta[b]quinolin-5-id-6-yl)quinolin-8-ol;platinum is CC1(C)C2=CCC=C2N(c2cnccn2)c2[c-]c(-c3ccc4cccc(O)c4n3)ccc21.[Pt].
What is the InChIKey of 2-(9,9-dimethyl-4-pyrazin-2-yl-2,5-dihydrocyclopenta[b]quinolin-5-id-6-yl)quinolin-8-ol;platinum?
The InChIKey is KUHTVTUXGKUOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N4O.Pt/c1-27(2)19-6-4-7-22(19)31(25-16-28-13-14-29-25)23-15-18(9-11-20(23)27)21-12-10-17-5-3-8-24(32)26(17)30-21;/h3,5-14,16,32H,4H2,1-2H3;/q-1;.
What are the key properties of 2-(9,9-dimethyl-4-pyrazin-2-yl-2,5-dihydrocyclopenta[b]quinolin-5-id-6-yl)quinolin-8-ol;platinum?
2-(9,9-dimethyl-4-pyrazin-2-yl-2,5-dihydrocyclopenta[b]quinolin-5-id-6-yl)quinolin-8-ol;platinum has a molecular weight of 612.57 g/mol, XLogP of 5.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-4-pyrazin-2-yl-2,5-dihydrocyclopenta[b]quinolin-5-id-6-yl)quinolin-8-ol;platinum is sourced from PubChem (CID 171580311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).