3-[[6-(6-cyclohexyl-1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-1',1',3',3'-tetramethyl-1-phenylspiro[5,7-dihydrocyclopenta[c]pyridine-6,2'-indene];platinum(2+)

C49H45N3OPt — CID 164727751

IUPAC3-[[6-(6-cyclohexyl-1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-1',1',3',3'-tetramethyl-1-phenylspiro[5,7-dihydrocyclopenta[c]pyridine-6,2'-indene];platinum(2+)
SMILESCC1(C)c2ccccc2C(C)(C)C12Cc1cc(Oc3cccc(-n4c5[c-]cccc5c5cc(C6CCCCC6)ccc54)n3)nc(-c3[c-]cccc3)c1C2.[Pt+2]
InChIInChI=1S/C49H45N3O.Pt/c1-47(2)39-21-12-13-22-40(39)48(3,4)49(47)30-35-29-45(51-46(38(35)31-49)33-18-9-6-10-19-33)53-44-25-15-24-43(50-44)52-41-23-14-11-20-36(41)37-28-34(26-27-42(37)52)32-16-7-5-8-17-32;/h6,9-15,18,20-22,24-29,32H,5,7-8,16-17,30-31H2,1-4H3;/q-2;+2
InChIKeyCTMIFFZRJORQDJ-UHFFFAOYSA-N
MW887.00 g/mol
LogP12.03
Rot. Bonds5

About 3-[[6-(6-cyclohexyl-1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-1',1',3',3'-tetramethyl-1-phenylspiro[5,7-dihydrocyclopenta[c]pyridine-6,2'-indene];platinum(2+)

3-[[6-(6-cyclohexyl-1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-1',1',3',3'-tetramethyl-1-phenylspiro[5,7-dihydrocyclopenta[c]pyridine-6,2'-indene];platinum(2+) (PubChem CID 164727751) has the molecular formula C49H45N3OPt and a molecular weight of 887.00 g/mol. Its IUPAC name is 3-[[6-(6-cyclohexyl-1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-1',1',3',3'-tetramethyl-1-phenylspiro[5,7-dihydrocyclopenta[c]pyridine-6,2'-indene];platinum(2+).

Molecular Properties

Compound Name3-[[6-(6-cyclohexyl-1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-1',1',3',3'-tetramethyl-1-phenylspiro[5,7-dihydrocyclopenta[c]pyridine-6,2'-indene];platinum(2+)
PubChem CID164727751
Molecular FormulaC49H45N3OPt
Molecular Weight887.00 g/mol
Exact Mass886.32
IUPAC Name3-[[6-(6-cyclohexyl-1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-1',1',3',3'-tetramethyl-1-phenylspiro[5,7-dihydrocyclopenta[c]pyridine-6,2'-indene];platinum(2+)
SMILESCC1(C)c2ccccc2C(C)(C)C12Cc1cc(Oc3cccc(-n4c5[c-]cccc5c5cc(C6CCCCC6)ccc54)n3)nc(-c3[c-]cccc3)c1C2.[Pt+2]
InChIInChI=1S/C49H45N3O.Pt/c1-47(2)39-21-12-13-22-40(39)48(3,4)49(47)30-35-29-45(51-46(38(35)31-49)33-18-9-6-10-19-33)53-44-25-15-24-43(50-44)52-41-23-14-11-20-36(41)37-28-34(26-27-42(37)52)32-16-7-5-8-17-32;/h6,9-15,18,20-22,24-29,32H,5,7-8,16-17,30-31H2,1-4H3;/q-2;+2
InChIKeyCTMIFFZRJORQDJ-UHFFFAOYSA-N
XLogP12.03
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.00
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[6-(6-cyclohexyl-1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-1',1',3',3'-tetramethyl-1-phenylspiro[5,7-dihydrocyclopenta[c]pyridine-6,2'-indene];platinum(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(6-cyclohexyl-1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-1',1',3',3'-tetramethyl-1-phenylspiro[5,7-dihydrocyclopenta[c]pyridine-6,2'-indene];platinum(2+)?
The IUPAC name of 3-[[6-(6-cyclohexyl-1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-1',1',3',3'-tetramethyl-1-phenylspiro[5,7-dihydrocyclopenta[c]pyridine-6,2'-indene];platinum(2+) (CID 164727751) is 3-[[6-(6-cyclohexyl-1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-1',1',3',3'-tetramethyl-1-phenylspiro[5,7-dihydrocyclopenta[c]pyridine-6,2'-indene];platinum(2+).
What is the SMILES notation for 3-[[6-(6-cyclohexyl-1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-1',1',3',3'-tetramethyl-1-phenylspiro[5,7-dihydrocyclopenta[c]pyridine-6,2'-indene];platinum(2+)?
The canonical SMILES for 3-[[6-(6-cyclohexyl-1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-1',1',3',3'-tetramethyl-1-phenylspiro[5,7-dihydrocyclopenta[c]pyridine-6,2'-indene];platinum(2+) is CC1(C)c2ccccc2C(C)(C)C12Cc1cc(Oc3cccc(-n4c5[c-]cccc5c5cc(C6CCCCC6)ccc54)n3)nc(-c3[c-]cccc3)c1C2.[Pt+2].
What is the InChIKey of 3-[[6-(6-cyclohexyl-1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-1',1',3',3'-tetramethyl-1-phenylspiro[5,7-dihydrocyclopenta[c]pyridine-6,2'-indene];platinum(2+)?
The InChIKey is CTMIFFZRJORQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H45N3O.Pt/c1-47(2)39-21-12-13-22-40(39)48(3,4)49(47)30-35-29-45(51-46(38(35)31-49)33-18-9-6-10-19-33)53-44-25-15-24-43(50-44)52-41-23-14-11-20-36(41)37-28-34(26-27-42(37)52)32-16-7-5-8-17-32;/h6,9-15,18,20-22,24-29,32H,5,7-8,16-17,30-31H2,1-4H3;/q-2;+2.
What are the key properties of 3-[[6-(6-cyclohexyl-1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-1',1',3',3'-tetramethyl-1-phenylspiro[5,7-dihydrocyclopenta[c]pyridine-6,2'-indene];platinum(2+)?
3-[[6-(6-cyclohexyl-1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-1',1',3',3'-tetramethyl-1-phenylspiro[5,7-dihydrocyclopenta[c]pyridine-6,2'-indene];platinum(2+) has a molecular weight of 887.00 g/mol, XLogP of 12.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(6-cyclohexyl-1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-1',1',3',3'-tetramethyl-1-phenylspiro[5,7-dihydrocyclopenta[c]pyridine-6,2'-indene];platinum(2+) is sourced from PubChem (CID 164727751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).