CID 11622257

C36H24 — CID 11622257

IUPAC—
SMILES[CH]1[CH][CH][C](c2c([C]3[CH][CH][CH][CH]3)c([C]3[CH][CH][CH][CH]3)c([C]3[CH][CH][CH][CH]3)c([C]3[CH][CH][CH][CH]3)c2[C]2[CH][CH][CH][CH]2)[CH]1
InChIInChI=1S/C36H24/c1-2-14-25(13-1)31-32(26-15-3-4-16-26)34(28-19-7-8-20-28)36(30-23-11-12-24-30)35(29-21-9-10-22-29)33(31)27-17-5-6-18-27/h1-24H
InChIKeyHTOOGZBAZGTFAQ-UHFFFAOYSA-N
MW456.59 g/mol
LogP6.21
Rot. Bonds6

About CID 11622257

CID 11622257 (PubChem CID 11622257) has the molecular formula C36H24 and a molecular weight of 456.59 g/mol.

Molecular Properties

Compound NameCID 11622257
PubChem CID11622257
Molecular FormulaC36H24
Molecular Weight456.59 g/mol
Exact Mass456.19
IUPAC Name—
SMILES[CH]1[CH][CH][C](c2c([C]3[CH][CH][CH][CH]3)c([C]3[CH][CH][CH][CH]3)c([C]3[CH][CH][CH][CH]3)c([C]3[CH][CH][CH][CH]3)c2[C]2[CH][CH][CH][CH]2)[CH]1
InChIInChI=1S/C36H24/c1-2-14-25(13-1)31-32(26-15-3-4-16-26)34(28-19-7-8-20-28)36(30-23-11-12-24-30)35(29-21-9-10-22-29)33(31)27-17-5-6-18-27/h1-24H
InChIKeyHTOOGZBAZGTFAQ-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 11622257?
The IUPAC name of CID 11622257 (CID 11622257) is not available.
What is the SMILES notation for CID 11622257?
The canonical SMILES for CID 11622257 is [CH]1[CH][CH][C](c2c([C]3[CH][CH][CH][CH]3)c([C]3[CH][CH][CH][CH]3)c([C]3[CH][CH][CH][CH]3)c([C]3[CH][CH][CH][CH]3)c2[C]2[CH][CH][CH][CH]2)[CH]1.
What is the InChIKey of CID 11622257?
The InChIKey is HTOOGZBAZGTFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24/c1-2-14-25(13-1)31-32(26-15-3-4-16-26)34(28-19-7-8-20-28)36(30-23-11-12-24-30)35(29-21-9-10-22-29)33(31)27-17-5-6-18-27/h1-24H.
What are the key properties of CID 11622257?
CID 11622257 has a molecular weight of 456.59 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11622257 is sourced from PubChem (CID 11622257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).