5,5-ditert-butylbenzo[b]phosphindol-5-ium

C20H26P+ — CID 139085011

IUPAC5,5-ditert-butylbenzo[b]phosphindol-5-ium
SMILESCC(C)(C)[P+]1(C(C)(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H26P/c1-19(2,3)21(20(4,5)6)17-13-9-7-11-15(17)16-12-8-10-14-18(16)21/h7-14H,1-6H3/q+1
InChIKeyHUABDKZDHRTISZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.23
Rot. Bonds

About 5,5-ditert-butylbenzo[b]phosphindol-5-ium

5,5-ditert-butylbenzo[b]phosphindol-5-ium (PubChem CID 139085011) has the molecular formula C20H26P+ and a molecular weight of 297.40 g/mol. Its IUPAC name is 5,5-ditert-butylbenzo[b]phosphindol-5-ium.

Molecular Properties

Compound Name5,5-ditert-butylbenzo[b]phosphindol-5-ium
PubChem CID139085011
Molecular FormulaC20H26P+
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5,5-ditert-butylbenzo[b]phosphindol-5-ium
SMILESCC(C)(C)[P+]1(C(C)(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H26P/c1-19(2,3)21(20(4,5)6)17-13-9-7-11-15(17)16-12-8-10-14-18(16)21/h7-14H,1-6H3/q+1
InChIKeyHUABDKZDHRTISZ-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
5-methyl-5-(4-methylphenyl)benzo[b]phosphindol-5-ium
CID 173176749
2-tert-butylindene-1,3-dione
CID 10081566
spiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium]
CID 102464447
(3aS,11bR)-2,2-ditert-butyl-3a,11b-dihydrophenanthro[9,10-d][1,3,2]dioxasilole
CID 6427380
5-butyl-5-methylbenzo[b]phosphindol-5-ium
CID 173176473
1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738
2,3-ditert-butyltetraphenylene
CID 166497085
N-(3-methylpentan-3-yl)-9H-fluoren-9-amine
CID 106328343
9-(2,2-dimethylpropyl)-9H-fluorene;ethane
CID 145284479
biphenylene;hydron
CID 173077542
2,2-dimethylpropane;triphenylene
CID 143354437

Frequently Asked Questions

What is the IUPAC name of 5,5-ditert-butylbenzo[b]phosphindol-5-ium?
The IUPAC name of 5,5-ditert-butylbenzo[b]phosphindol-5-ium (CID 139085011) is 5,5-ditert-butylbenzo[b]phosphindol-5-ium.
What is the SMILES notation for 5,5-ditert-butylbenzo[b]phosphindol-5-ium?
The canonical SMILES for 5,5-ditert-butylbenzo[b]phosphindol-5-ium is CC(C)(C)[P+]1(C(C)(C)C)c2ccccc2-c2ccccc21.
What is the InChIKey of 5,5-ditert-butylbenzo[b]phosphindol-5-ium?
The InChIKey is HUABDKZDHRTISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26P/c1-19(2,3)21(20(4,5)6)17-13-9-7-11-15(17)16-12-8-10-14-18(16)21/h7-14H,1-6H3/q+1.
What are the key properties of 5,5-ditert-butylbenzo[b]phosphindol-5-ium?
5,5-ditert-butylbenzo[b]phosphindol-5-ium has a molecular weight of 297.40 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-ditert-butylbenzo[b]phosphindol-5-ium is sourced from PubChem (CID 139085011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).