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+)

C47H35N3OPt — CID 164727485

IUPAC9-[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+)
SMILESCc1cccc(C)c1-c1cc(Oc2[c-]c(-c3[c-]cccc3)cc3c2CC2(Cc4ccccc4C2)C3)nc(-n2c3ccccc3c3cccnc32)c1.[Pt+2]
InChIInChI=1S/C47H35N3O.Pt/c1-30-12-10-13-31(2)45(30)36-24-43(50-41-20-9-8-18-38(41)39-19-11-21-48-46(39)50)49-44(25-36)51-42-23-35(32-14-4-3-5-15-32)22-37-28-47(29-40(37)42)26-33-16-6-7-17-34(33)27-47;/h3-14,16-22,24-25H,26-29H2,1-2H3;/q-2;+2
InChIKeyPGAJPLYCMFGCIA-UHFFFAOYSA-N
MW852.90 g/mol
LogP10.80
Rot. Bonds5

About 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+)

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+) (PubChem CID 164727485) has the molecular formula C47H35N3OPt and a molecular weight of 852.90 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name9-[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+)
PubChem CID164727485
Molecular FormulaC47H35N3OPt
Molecular Weight852.90 g/mol
Exact Mass852.24
IUPAC Name9-[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+)
SMILESCc1cccc(C)c1-c1cc(Oc2[c-]c(-c3[c-]cccc3)cc3c2CC2(Cc4ccccc4C2)C3)nc(-n2c3ccccc3c3cccnc32)c1.[Pt+2]
InChIInChI=1S/C47H35N3O.Pt/c1-30-12-10-13-31(2)45(30)36-24-43(50-41-20-9-8-18-38(41)39-19-11-21-48-46(39)50)49-44(25-36)51-42-23-35(32-14-4-3-5-15-32)22-37-28-47(29-40(37)42)26-33-16-6-7-17-34(33)27-47;/h3-14,16-22,24-25H,26-29H2,1-2H3;/q-2;+2
InChIKeyPGAJPLYCMFGCIA-UHFFFAOYSA-N
XLogP10.80
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.90
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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+) with MolForge

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Related Compounds

2-[6'-[[4-tert-butyl-6-(6-cyclohexylpyrido[2,3-b]indol-9-yl)-2-pyridinyl]oxy]spiro[1,3-dihydroindene-2,2'-3,5-dihydro-1H-inden-5-ide]-4'-yl]phenol;platinum
CID 164727776
6-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]-9,9-dimethyl-4,5-dihydro-[1]benzosilolo[2,3-b]pyridine-4,5-diide;platinum(2+)
CID 168721010
2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol
CID 164823529
9-[4-[2-(2-cyanophenyl)phenyl]-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312480
4-tert-butyl-2-[3-[(4-tert-butyl-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)oxy]phenyl]phenol
CID 164823470
9-[4-[2-[2-(4-cyanophenyl)phenyl]phenyl]-6-pyrido[2,3-b]indol-9-yl-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312507
5-(4,6-diphenyl-2-pyridinyl)-8-[9-(4,6-diphenyl-2-pyridinyl)pyrido[2,3-b]indol-6-yl]pyrido[3,2-b]indole
CID 146187839
3-[2-[2-(2-carbazol-9-yl-6-pyrido[2,3-b]indol-9-yl-4-pyridinyl)phenyl]phenyl]benzonitrile
CID 121312443
7-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610827
CID 154611572
CID 154611572
2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)carbazol-2-yl]phenol
CID 164823525
9-(4,6-diphenyl-2-pyridinyl)-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221619

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is Cc1cccc(C)c1-c1cc(Oc2[c-]c(-c3[c-]cccc3)cc3c2CC2(Cc4ccccc4C2)C3)nc(-n2c3ccccc3c3cccnc32)c1.[Pt+2].
What is the InChIKey of 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+)?
The InChIKey is PGAJPLYCMFGCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3O.Pt/c1-30-12-10-13-31(2)45(30)36-24-43(50-41-20-9-8-18-38(41)39-19-11-21-48-46(39)50)49-44(25-36)51-42-23-35(32-14-4-3-5-15-32)22-37-28-47(29-40(37)42)26-33-16-6-7-17-34(33)27-47;/h3-14,16-22,24-25H,26-29H2,1-2H3;/q-2;+2.
What are the key properties of 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+)?
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+) has a molecular weight of 852.90 g/mol, XLogP of 10.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 164727485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).