benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]

C29H20N2O2Pt — CID 59661482

IUPACbenzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
SMILESOc1ccccc1O.[Pt].c1ccc2c(c1)-c1ccccc1C21c2cccnc2-c2ncccc21
InChIInChI=1S/C23H14N2.C6H6O2.Pt/c1-3-9-17-15(7-1)16-8-2-4-10-18(16)23(17)19-11-5-13-24-21(19)22-20(23)12-6-14-25-22;7-5-3-1-2-4-6(5)8;/h1-14H;1-4,7-8H;
InChIKeyWDPKNBNULBPZNL-UHFFFAOYSA-N
MW623.57 g/mol
LogP5.92
Rot. Bonds

About benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]

benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] (PubChem CID 59661482) has the molecular formula C29H20N2O2Pt and a molecular weight of 623.57 g/mol. Its IUPAC name is benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene].

Molecular Properties

Compound Namebenzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
PubChem CID59661482
Molecular FormulaC29H20N2O2Pt
Molecular Weight623.57 g/mol
Exact Mass623.12
IUPAC Namebenzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
SMILESOc1ccccc1O.[Pt].c1ccc2c(c1)-c1ccccc1C21c2cccnc2-c2ncccc21
InChIInChI=1S/C23H14N2.C6H6O2.Pt/c1-3-9-17-15(7-1)16-8-2-4-10-18(16)23(17)19-11-5-13-24-21(19)22-20(23)12-6-14-25-22;7-5-3-1-2-4-6(5)8;/h1-14H;1-4,7-8H;
InChIKeyWDPKNBNULBPZNL-UHFFFAOYSA-N
XLogP5.92
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.57
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] with MolForge

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Related Compounds

2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
spiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 129265256
CID 138579856
CID 138579856
2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
CID 139891134
bis(7-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]);platinum(2+)
CID 59661583
5-[9-(2,4,5-trihydroxyphenyl)fluoren-9-yl]benzene-1,2,4-triol
CID 137364150
spiro[3,4-dihydrofluorene-9,5'-indeno[1,2-b]pyridine]
CID 67968403
spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene]
CID 59522731
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;platinum;spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]
CID 58401833
7-benzhydrylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];iridium
CID 58401861
spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine]
CID 126652948
spiro[fluorene-9,7'-indeno[1,2-f]quinoline]
CID 134354321

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]?
The IUPAC name of benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] (CID 59661482) is benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene].
What is the SMILES notation for benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]?
The canonical SMILES for benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] is Oc1ccccc1O.[Pt].c1ccc2c(c1)-c1ccccc1C21c2cccnc2-c2ncccc21.
What is the InChIKey of benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]?
The InChIKey is WDPKNBNULBPZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2.C6H6O2.Pt/c1-3-9-17-15(7-1)16-8-2-4-10-18(16)23(17)19-11-5-13-24-21(19)22-20(23)12-6-14-25-22;7-5-3-1-2-4-6(5)8;/h1-14H;1-4,7-8H;.
What are the key properties of benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]?
benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] has a molecular weight of 623.57 g/mol, XLogP of 5.92, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] is sourced from PubChem (CID 59661482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).