2-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-9-phenylpyrido[2,3-b]indole;platinum(2+)

C47H35N3O2Pt — CID 162503712

IUPAC2-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-9-phenylpyrido[2,3-b]indole;platinum(2+)
SMILES[Pt+2].[c-]1ccccc1-n1c2ccccc2c2ccc(Oc3[c-]c(-c4nccc5c4CC(C4CCCCC4)C5)c4oc5ccc6ccccc6c5c4c3)nc21
InChIInChI=1S/C47H35N3O2.Pt/c1-3-11-29(12-4-1)32-25-31-23-24-48-45(38(31)26-32)40-28-34(27-39-44-35-16-8-7-13-30(35)19-21-42(44)52-46(39)40)51-43-22-20-37-36-17-9-10-18-41(36)50(47(37)49-43)33-14-5-2-6-15-33;/h2,5-10,13-14,16-24,27,29,32H,1,3-4,11-12,25-26H2;/q-2;+2
InChIKeyLDMAUOQCQOAVRY-UHFFFAOYSA-N
MW868.89 g/mol
LogP11.98
Rot. Bonds5

About 2-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-9-phenylpyrido[2,3-b]indole;platinum(2+)

2-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-9-phenylpyrido[2,3-b]indole;platinum(2+) (PubChem CID 162503712) has the molecular formula C47H35N3O2Pt and a molecular weight of 868.89 g/mol. Its IUPAC name is 2-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-9-phenylpyrido[2,3-b]indole;platinum(2+).

Molecular Properties

Compound Name2-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-9-phenylpyrido[2,3-b]indole;platinum(2+)
PubChem CID162503712
Molecular FormulaC47H35N3O2Pt
Molecular Weight868.89 g/mol
Exact Mass868.24
IUPAC Name2-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-9-phenylpyrido[2,3-b]indole;platinum(2+)
SMILES[Pt+2].[c-]1ccccc1-n1c2ccccc2c2ccc(Oc3[c-]c(-c4nccc5c4CC(C4CCCCC4)C5)c4oc5ccc6ccccc6c5c4c3)nc21
InChIInChI=1S/C47H35N3O2.Pt/c1-3-11-29(12-4-1)32-25-31-23-24-48-45(38(31)26-32)40-28-34(27-39-44-35-16-8-7-13-30(35)19-21-42(44)52-46(39)40)51-43-22-20-37-36-17-9-10-18-41(36)50(47(37)49-43)33-14-5-2-6-15-33;/h2,5-10,13-14,16-24,27,29,32H,1,3-4,11-12,25-26H2;/q-2;+2
InChIKeyLDMAUOQCQOAVRY-UHFFFAOYSA-N
XLogP11.98
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.89
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-9-phenylpyrido[2,3-b]indole;platinum(2+) with MolForge

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Related Compounds

9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+)
CID 162503597
4-(3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaen-15-yl)-2-phenylpyridine;iridium;5-methyl-2-phenylpyridine
CID 164802691
2-[[10-(6-cyclohexyl-5,5,7,7-tetramethyl-6H-cyclopenta[c]pyridin-3-yl)-9H-naphtho[1,2-b][1]benzofuran-9-id-8-yl]oxy]-9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 162503683
CID 171051732
CID 171051732
CID 171043677
CID 171043677
CID 171051642
CID 171051642
6'-[6-[3-phenyl-5-(2,2,6,6-tetramethylcyclohexyl)benzene-2-id-1-yl]oxy-2-pyridinyl]spiro[1,3-dihydroindene-2,13'-8-oxa-5-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,15-hexaene];platinum(2+)
CID 164727573
diphenyl-(9-phenylpyrido[2,3-b]indol-2-yl)-(12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-id-11-yl)silane;platinum(2+)
CID 153411538
5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole
CID 167424215
7-cyclopentyl-2-[[4-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176606358
2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole
CID 140680894
2-[3-[4-(2,6-dicyclohexyl-3,4,5-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153414395

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-9-phenylpyrido[2,3-b]indole;platinum(2+)?
The IUPAC name of 2-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-9-phenylpyrido[2,3-b]indole;platinum(2+) (CID 162503712) is 2-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-9-phenylpyrido[2,3-b]indole;platinum(2+).
What is the SMILES notation for 2-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-9-phenylpyrido[2,3-b]indole;platinum(2+)?
The canonical SMILES for 2-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-9-phenylpyrido[2,3-b]indole;platinum(2+) is [Pt+2].[c-]1ccccc1-n1c2ccccc2c2ccc(Oc3[c-]c(-c4nccc5c4CC(C4CCCCC4)C5)c4oc5ccc6ccccc6c5c4c3)nc21.
What is the InChIKey of 2-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-9-phenylpyrido[2,3-b]indole;platinum(2+)?
The InChIKey is LDMAUOQCQOAVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3O2.Pt/c1-3-11-29(12-4-1)32-25-31-23-24-48-45(38(31)26-32)40-28-34(27-39-44-35-16-8-7-13-30(35)19-21-42(44)52-46(39)40)51-43-22-20-37-36-17-9-10-18-41(36)50(47(37)49-43)33-14-5-2-6-15-33;/h2,5-10,13-14,16-24,27,29,32H,1,3-4,11-12,25-26H2;/q-2;+2.
What are the key properties of 2-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-9-phenylpyrido[2,3-b]indole;platinum(2+)?
2-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-9-phenylpyrido[2,3-b]indole;platinum(2+) has a molecular weight of 868.89 g/mol, XLogP of 11.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(6-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]-9-phenylpyrido[2,3-b]indole;platinum(2+) is sourced from PubChem (CID 162503712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).