CID 134882298

C55H70 — CID 134882298

IUPAC—
SMILESCc1c([C](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c(C(C)C)cc(C(C)C)c1[C](c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C55H70/c1-35(2)46-34-47(36(3)4)49(51(40-22-30-44(31-23-40)54(12,13)14)41-24-32-45(33-25-41)55(15,16)17)37(5)48(46)50(38-18-26-42(27-19-38)52(6,7)8)39-20-28-43(29-21-39)53(9,10)11/h18-36H,1-17H3
InChIKeyMRAXKBJGEIQJER-UHFFFAOYSA-N
MW731.16 g/mol
LogP15.47
Rot. Bonds8

About CID 134882298

CID 134882298 (PubChem CID 134882298) has the molecular formula C55H70 and a molecular weight of 731.16 g/mol.

Molecular Properties

Compound NameCID 134882298
PubChem CID134882298
Molecular FormulaC55H70
Molecular Weight731.16 g/mol
Exact Mass730.55
IUPAC Name—
SMILESCc1c([C](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c(C(C)C)cc(C(C)C)c1[C](c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C55H70/c1-35(2)46-34-47(36(3)4)49(51(40-22-30-44(31-23-40)54(12,13)14)41-24-32-45(33-25-41)55(15,16)17)37(5)48(46)50(38-18-26-42(27-19-38)52(6,7)8)39-20-28-43(29-21-39)53(9,10)11/h18-36H,1-17H3
InChIKeyMRAXKBJGEIQJER-UHFFFAOYSA-N
XLogP15.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.16
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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(Z)-1,2-bis(4-tert-butylphenyl)ethene-1,2-dithiolate
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2-propan-2-yl-4-[2-(3-propan-2-yl-4-sulfanylphenyl)propan-2-yl]benzenethiol
CID 155658153
4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene
CID 139682030
2-bromo-1-(4-tert-butylphenyl)propan-1-one
CID 43144127
N-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide
CID 70682694
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]carbamic acid
CID 141043389
(2E)-2-[1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazol-2-ylidene]-1,3-bis(4-tert-butylphenyl)-5-methyl-6-propan-2-ylbenzimidazole
CID 129174972
4-methyl-3-propan-2-ylbenzoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 134882298?
The IUPAC name of CID 134882298 (CID 134882298) is not available.
What is the SMILES notation for CID 134882298?
The canonical SMILES for CID 134882298 is Cc1c([C](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c(C(C)C)cc(C(C)C)c1[C](c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of CID 134882298?
The InChIKey is MRAXKBJGEIQJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H70/c1-35(2)46-34-47(36(3)4)49(51(40-22-30-44(31-23-40)54(12,13)14)41-24-32-45(33-25-41)55(15,16)17)37(5)48(46)50(38-18-26-42(27-19-38)52(6,7)8)39-20-28-43(29-21-39)53(9,10)11/h18-36H,1-17H3.
What are the key properties of CID 134882298?
CID 134882298 has a molecular weight of 731.16 g/mol, XLogP of 15.47, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134882298 is sourced from PubChem (CID 134882298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).