actinium;3,7,8-trimethyl-5-phenylbenzo[b]phosphindol-2-ol

C21H19AcOP — CID 59096295

IUPACactinium;3,7,8-trimethyl-5-phenylbenzo[b]phosphindol-2-ol
SMILESCc1cc2c3cc(O)c(C)cc3p(-c3ccccc3)c2cc1C.[Ac]
InChIInChI=1S/C21H19OP.Ac/c1-13-9-17-18-12-19(22)15(3)11-21(18)23(20(17)10-14(13)2)16-7-5-4-6-8-16;/h4-12,22H,1-3H3;
InChIKeyBMQZGVSXDLEFPX-UHFFFAOYSA-N
MW545.36 g/mol
LogP6.60
Rot. Bonds1

About actinium;3,7,8-trimethyl-5-phenylbenzo[b]phosphindol-2-ol

actinium;3,7,8-trimethyl-5-phenylbenzo[b]phosphindol-2-ol (PubChem CID 59096295) has the molecular formula C21H19AcOP and a molecular weight of 545.36 g/mol. Its IUPAC name is actinium;3,7,8-trimethyl-5-phenylbenzo[b]phosphindol-2-ol.

Molecular Properties

Compound Nameactinium;3,7,8-trimethyl-5-phenylbenzo[b]phosphindol-2-ol
PubChem CID59096295
Molecular FormulaC21H19AcOP
Molecular Weight545.36 g/mol
Exact Mass545.15
IUPAC Nameactinium;3,7,8-trimethyl-5-phenylbenzo[b]phosphindol-2-ol
SMILESCc1cc2c3cc(O)c(C)cc3p(-c3ccccc3)c2cc1C.[Ac]
InChIInChI=1S/C21H19OP.Ac/c1-13-9-17-18-12-19(22)15(3)11-21(18)23(20(17)10-14(13)2)16-7-5-4-6-8-16;/h4-12,22H,1-3H3;
InChIKeyBMQZGVSXDLEFPX-UHFFFAOYSA-N
XLogP6.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.36
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

actinium;3,7-dimethyl-5-phenylbenzo[b]phosphindole-2,8-diol
CID 59096280
3,7-dimethyl-5-phenyl-2,8-bis(phenylmethoxy)benzo[b]phosphindole
CID 59167412
2,8-difluoro-3,4,7-trimethyl-5-phenylbenzo[b]phosphindole
CID 70999453
phenol;1,2,4,5-tetramethylbenzene
CID 158089853
1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide
CID 3852732
2-methyl-4-(2-phenylethynyl)phenol
CID 59263622
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol
CID 138464044
7-methyl-2-phenylchromenylium-6-ol
CID 134912245
1-anilino-3-ethyl-2,6-dimethylindol-5-ol
CID 14962174
benzene-1,2,3-triol;1,2-xylene
CID 175355365
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877

Frequently Asked Questions

What is the IUPAC name of actinium;3,7,8-trimethyl-5-phenylbenzo[b]phosphindol-2-ol?
The IUPAC name of actinium;3,7,8-trimethyl-5-phenylbenzo[b]phosphindol-2-ol (CID 59096295) is actinium;3,7,8-trimethyl-5-phenylbenzo[b]phosphindol-2-ol.
What is the SMILES notation for actinium;3,7,8-trimethyl-5-phenylbenzo[b]phosphindol-2-ol?
The canonical SMILES for actinium;3,7,8-trimethyl-5-phenylbenzo[b]phosphindol-2-ol is Cc1cc2c3cc(O)c(C)cc3p(-c3ccccc3)c2cc1C.[Ac].
What is the InChIKey of actinium;3,7,8-trimethyl-5-phenylbenzo[b]phosphindol-2-ol?
The InChIKey is BMQZGVSXDLEFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19OP.Ac/c1-13-9-17-18-12-19(22)15(3)11-21(18)23(20(17)10-14(13)2)16-7-5-4-6-8-16;/h4-12,22H,1-3H3;.
What are the key properties of actinium;3,7,8-trimethyl-5-phenylbenzo[b]phosphindol-2-ol?
actinium;3,7,8-trimethyl-5-phenylbenzo[b]phosphindol-2-ol has a molecular weight of 545.36 g/mol, XLogP of 6.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;3,7,8-trimethyl-5-phenylbenzo[b]phosphindol-2-ol is sourced from PubChem (CID 59096295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).