CID 10866121

C53H40 — CID 10866121

IUPAC—
SMILES[CH]1[CH][CH][C](/C=C/c2ccc(C(c3ccc(/C=C/[C]4[CH][CH][CH][CH]4)cc3)(c3ccc(/C=C/[C]4[CH][CH][CH][CH]4)cc3)c3ccc(/C=C/[C]4[CH][CH][CH][CH]4)cc3)cc2)[CH]1
InChIInChI=1S/C53H40/c1-2-10-41(9-1)17-21-45-25-33-49(34-26-45)53(50-35-27-46(28-36-50)22-18-42-11-3-4-12-42,51-37-29-47(30-38-51)23-19-43-13-5-6-14-43)52-39-31-48(32-40-52)24-20-44-15-7-8-16-44/h1-40H/b21-17+,22-18+,23-19+,24-20+
InChIKeyBYYZULUQKQCQLF-OKNOEDMOSA-N
MW676.90 g/mol
LogP11.74
Rot. Bonds12

About CID 10866121

CID 10866121 (PubChem CID 10866121) has the molecular formula C53H40 and a molecular weight of 676.90 g/mol.

Molecular Properties

Compound NameCID 10866121
PubChem CID10866121
Molecular FormulaC53H40
Molecular Weight676.90 g/mol
Exact Mass676.31
IUPAC Name—
SMILES[CH]1[CH][CH][C](/C=C/c2ccc(C(c3ccc(/C=C/[C]4[CH][CH][CH][CH]4)cc3)(c3ccc(/C=C/[C]4[CH][CH][CH][CH]4)cc3)c3ccc(/C=C/[C]4[CH][CH][CH][CH]4)cc3)cc2)[CH]1
InChIInChI=1S/C53H40/c1-2-10-41(9-1)17-21-45-25-33-49(34-26-45)53(50-35-27-46(28-36-50)22-18-42-11-3-4-12-42,51-37-29-47(30-38-51)23-19-43-13-5-6-14-43)52-39-31-48(32-40-52)24-20-44-15-7-8-16-44/h1-40H/b21-17+,22-18+,23-19+,24-20+
InChIKeyBYYZULUQKQCQLF-OKNOEDMOSA-N
XLogP11.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.90
LogP ≤ 511.74
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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Frequently Asked Questions

What is the IUPAC name of CID 10866121?
The IUPAC name of CID 10866121 (CID 10866121) is not available.
What is the SMILES notation for CID 10866121?
The canonical SMILES for CID 10866121 is [CH]1[CH][CH][C](/C=C/c2ccc(C(c3ccc(/C=C/[C]4[CH][CH][CH][CH]4)cc3)(c3ccc(/C=C/[C]4[CH][CH][CH][CH]4)cc3)c3ccc(/C=C/[C]4[CH][CH][CH][CH]4)cc3)cc2)[CH]1.
What is the InChIKey of CID 10866121?
The InChIKey is BYYZULUQKQCQLF-OKNOEDMOSA-N. The full InChI is InChI=1S/C53H40/c1-2-10-41(9-1)17-21-45-25-33-49(34-26-45)53(50-35-27-46(28-36-50)22-18-42-11-3-4-12-42,51-37-29-47(30-38-51)23-19-43-13-5-6-14-43)52-39-31-48(32-40-52)24-20-44-15-7-8-16-44/h1-40H/b21-17+,22-18+,23-19+,24-20+.
What are the key properties of CID 10866121?
CID 10866121 has a molecular weight of 676.90 g/mol, XLogP of 11.74, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10866121 is sourced from PubChem (CID 10866121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).