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+)

C49H44N2O2Pt — CID 164727573

IUPAC6'-[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+)
SMILESCC1(C)CCCC(C)(C)C1c1cc(Oc2cccc(-c3nccc4c3oc3cc5c(cc34)CC3(Cc4ccccc4C3)C5)n2)[c-]c(-c2[c-]cccc2)c1.[Pt+2]
InChIInChI=1S/C49H44N2O2.Pt/c1-47(2)19-11-20-48(3,4)46(47)35-22-34(31-12-6-5-7-13-31)23-38(24-35)52-43-17-10-16-41(51-43)44-45-39(18-21-50-44)40-25-36-29-49(30-37(36)26-42(40)53-45)27-32-14-8-9-15-33(32)28-49;/h5-10,12,14-18,21-22,24-26,46H,11,19-20,27-30H2,1-4H3;/q-2;+2
InChIKeyZXCOYNILZFWOPM-UHFFFAOYSA-N
MW887.98 g/mol
LogP12.30
Rot. Bonds5

About 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+)

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+) (PubChem CID 164727573) has the molecular formula C49H44N2O2Pt and a molecular weight of 887.98 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name6'-[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+)
PubChem CID164727573
Molecular FormulaC49H44N2O2Pt
Molecular Weight887.98 g/mol
Exact Mass887.31
IUPAC Name6'-[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+)
SMILESCC1(C)CCCC(C)(C)C1c1cc(Oc2cccc(-c3nccc4c3oc3cc5c(cc34)CC3(Cc4ccccc4C3)C5)n2)[c-]c(-c2[c-]cccc2)c1.[Pt+2]
InChIInChI=1S/C49H44N2O2.Pt/c1-47(2)19-11-20-48(3,4)46(47)35-22-34(31-12-6-5-7-13-31)23-38(24-35)52-43-17-10-16-41(51-43)44-45-39(18-21-50-44)40-25-36-29-49(30-37(36)26-42(40)53-45)27-32-14-8-9-15-33(32)28-49;/h5-10,12,14-18,21-22,24-26,46H,11,19-20,27-30H2,1-4H3;/q-2;+2
InChIKeyZXCOYNILZFWOPM-UHFFFAOYSA-N
XLogP12.30
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.98
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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+) with MolForge

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Related Compounds

(Z)-4-hydroxypent-3-en-2-one;iridium;5,5,6,6-tetramethyl-15-phenyl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene
CID 170679206
CID 164727521
CID 164727521
15-[3-[(6-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;platinum(2+)
CID 164939815
CID 169040326
CID 169040326
1-(2H-dibenzofuran-2-id-3-yl)-6,6,9,9-tetramethyl-7,8-dihydrobenzo[g]isoquinoline;iridium;2-phenylpyridine
CID 140789975
iridium;1-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-spiro[4.5]decan-8-ylisoquinoline;2-phenylpyridine
CID 167337854
9-[4-(2,6-dimethylphenyl)-6-(6'-phenylspiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl)oxy-2-pyridinyl]pyrido[2,3-b]indole;platinum(2+)
CID 164727485
CID 169040331
CID 169040331
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
15-(3-methylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene
CID 170679013
4,7-dimethyl-15-phenyl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12,14-hexaene;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 170679024
(Z)-4-hydroxypent-3-en-2-one;iridium;4,4,5,5-tetramethyl-13-phenyl-11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
CID 170678710

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is CC1(C)CCCC(C)(C)C1c1cc(Oc2cccc(-c3nccc4c3oc3cc5c(cc34)CC3(Cc4ccccc4C3)C5)n2)[c-]c(-c2[c-]cccc2)c1.[Pt+2].
What is the InChIKey of 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+)?
The InChIKey is ZXCOYNILZFWOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44N2O2.Pt/c1-47(2)19-11-20-48(3,4)46(47)35-22-34(31-12-6-5-7-13-31)23-38(24-35)52-43-17-10-16-41(51-43)44-45-39(18-21-50-44)40-25-36-29-49(30-37(36)26-42(40)53-45)27-32-14-8-9-15-33(32)28-49;/h5-10,12,14-18,21-22,24-26,46H,11,19-20,27-30H2,1-4H3;/q-2;+2.
What are the key properties of 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+)?
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+) has a molecular weight of 887.98 g/mol, XLogP of 12.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 164727573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).