carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum

C62H70O8Ta2-2 — CID 20695639

IUPACcarbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.[CH3-].[CH3-].[Ta].[Ta]
InChIInChI=1S/4C15H16O2.2CH3.2Ta/c4*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;;;;/h4*3-10,16-17H,1-2H3;2*1H3;;/q;;;;2*-1;;
InChIKeyMCLBUPIBMGVVNO-UHFFFAOYSA-N
MW1305.13 g/mol
LogP14.59
Rot. Bonds8

About carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum

carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum (PubChem CID 20695639) has the molecular formula C62H70O8Ta2-2 and a molecular weight of 1305.13 g/mol. Its IUPAC name is carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum.

Molecular Properties

Compound Namecarbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
PubChem CID20695639
Molecular FormulaC62H70O8Ta2-2
Molecular Weight1305.13 g/mol
Exact Mass1304.40
IUPAC Namecarbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.[CH3-].[CH3-].[Ta].[Ta]
InChIInChI=1S/4C15H16O2.2CH3.2Ta/c4*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;;;;/h4*3-10,16-17H,1-2H3;2*1H3;;/q;;;;2*-1;;
InChIKeyMCLBUPIBMGVVNO-UHFFFAOYSA-N
XLogP14.59
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001305.13
LogP ≤ 514.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
carbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium
CID 20637487
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
disodium;hydride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 173033429
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278
benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 159326359
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylpropane)
CID 143736977
4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 58381771
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;ethane
CID 91392325
dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 158726740
biphenylene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 68577534

Frequently Asked Questions

What is the IUPAC name of carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum?
The IUPAC name of carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum (CID 20695639) is carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum.
What is the SMILES notation for carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum?
The canonical SMILES for carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum is CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.[CH3-].[CH3-].[Ta].[Ta].
What is the InChIKey of carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum?
The InChIKey is MCLBUPIBMGVVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H16O2.2CH3.2Ta/c4*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;;;;/h4*3-10,16-17H,1-2H3;2*1H3;;/q;;;;2*-1;;.
What are the key properties of carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum?
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum has a molecular weight of 1305.13 g/mol, XLogP of 14.59, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum is sourced from PubChem (CID 20695639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).