actinium;3,7-dimethyl-5-phenylbenzo[b]phosphindole-2,8-diol

C20H17Ac2O2P — CID 59096280

IUPACactinium;3,7-dimethyl-5-phenylbenzo[b]phosphindole-2,8-diol
SMILESCc1cc2c(cc1O)c1cc(O)c(C)cc1p2-c1ccccc1.[Ac].[Ac]
InChIInChI=1S/C20H17O2P.2Ac/c1-12-8-19-15(10-17(12)21)16-11-18(22)13(2)9-20(16)23(19)14-6-4-3-5-7-14;;/h3-11,21-22H,1-2H3;;
InChIKeyDPXCUOUMFOIFEF-UHFFFAOYSA-N
MW774.33 g/mol
LogP6.00
Rot. Bonds1

About actinium;3,7-dimethyl-5-phenylbenzo[b]phosphindole-2,8-diol

actinium;3,7-dimethyl-5-phenylbenzo[b]phosphindole-2,8-diol (PubChem CID 59096280) has the molecular formula C20H17Ac2O2P and a molecular weight of 774.33 g/mol. Its IUPAC name is actinium;3,7-dimethyl-5-phenylbenzo[b]phosphindole-2,8-diol.

Molecular Properties

Compound Nameactinium;3,7-dimethyl-5-phenylbenzo[b]phosphindole-2,8-diol
PubChem CID59096280
Molecular FormulaC20H17Ac2O2P
Molecular Weight774.33 g/mol
Exact Mass774.15
IUPAC Nameactinium;3,7-dimethyl-5-phenylbenzo[b]phosphindole-2,8-diol
SMILESCc1cc2c(cc1O)c1cc(O)c(C)cc1p2-c1ccccc1.[Ac].[Ac]
InChIInChI=1S/C20H17O2P.2Ac/c1-12-8-19-15(10-17(12)21)16-11-18(22)13(2)9-20(16)23(19)14-6-4-3-5-7-14;;/h3-11,21-22H,1-2H3;;
InChIKeyDPXCUOUMFOIFEF-UHFFFAOYSA-N
XLogP6.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.33
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of actinium;3,7-dimethyl-5-phenylbenzo[b]phosphindole-2,8-diol?
The IUPAC name of actinium;3,7-dimethyl-5-phenylbenzo[b]phosphindole-2,8-diol (CID 59096280) is actinium;3,7-dimethyl-5-phenylbenzo[b]phosphindole-2,8-diol.
What is the SMILES notation for actinium;3,7-dimethyl-5-phenylbenzo[b]phosphindole-2,8-diol?
The canonical SMILES for actinium;3,7-dimethyl-5-phenylbenzo[b]phosphindole-2,8-diol is Cc1cc2c(cc1O)c1cc(O)c(C)cc1p2-c1ccccc1.[Ac].[Ac].
What is the InChIKey of actinium;3,7-dimethyl-5-phenylbenzo[b]phosphindole-2,8-diol?
The InChIKey is DPXCUOUMFOIFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17O2P.2Ac/c1-12-8-19-15(10-17(12)21)16-11-18(22)13(2)9-20(16)23(19)14-6-4-3-5-7-14;;/h3-11,21-22H,1-2H3;;.
What are the key properties of actinium;3,7-dimethyl-5-phenylbenzo[b]phosphindole-2,8-diol?
actinium;3,7-dimethyl-5-phenylbenzo[b]phosphindole-2,8-diol has a molecular weight of 774.33 g/mol, XLogP of 6.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;3,7-dimethyl-5-phenylbenzo[b]phosphindole-2,8-diol is sourced from PubChem (CID 59096280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).