CID 22239885

C36H30Si — CID 22239885

IUPAC—
SMILESCc1cc2cccc(C)c(-c3ccccc3)c-2c1[Si]c1c(C)cc2cccc(C)c(-c3ccccc3)c1-2
InChIInChI=1S/C36H30Si/c1-23-13-11-19-29-21-25(3)35(33(29)31(23)27-15-7-5-8-16-27)37-36-26(4)22-30-20-12-14-24(2)32(34(30)36)28-17-9-6-10-18-28/h5-22H,1-4H3
InChIKeyVKIJHKCUTFMZCG-UHFFFAOYSA-N
MW490.72 g/mol
LogP8.12
Rot. Bonds4

About CID 22239885

CID 22239885 (PubChem CID 22239885) has the molecular formula C36H30Si and a molecular weight of 490.72 g/mol.

Molecular Properties

Compound NameCID 22239885
PubChem CID22239885
Molecular FormulaC36H30Si
Molecular Weight490.72 g/mol
Exact Mass490.21
IUPAC Name—
SMILESCc1cc2cccc(C)c(-c3ccccc3)c-2c1[Si]c1c(C)cc2cccc(C)c(-c3ccccc3)c1-2
InChIInChI=1S/C36H30Si/c1-23-13-11-19-29-21-25(3)35(33(29)31(23)27-15-7-5-8-16-27)37-36-26(4)22-30-20-12-14-24(2)32(34(30)36)28-17-9-6-10-18-28/h5-22H,1-4H3
InChIKeyVKIJHKCUTFMZCG-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.72
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Azuleno(2,1,8-ija)azulene
CID 137968
1,3-Diphenylazulene
CID 15445931
1,2,3-Triphenylazulene
CID 136819
Dicyclopenta[ef,kl]heptalene
CID 12310935
Azulenoazulene
CID 13347915
Diazulylmethan-Bildung
CID 12484572
4,8-Diphenylazulene
CID 12779623
2-[3,5-Di(azulen-2-yl)phenyl]azulene
CID 101760929
6-[3,5-Di(azulen-6-yl)phenyl]azulene
CID 11102517
1-Methyl-3-[(3-methylazulen-1-yl)methyl]azulene
CID 12667294
[2.2](1,3)Azulenophane
CID 5248431
2-[(Z)-2-azulen-2-ylethenyl]azulene
CID 12171030

Frequently Asked Questions

What is the IUPAC name of CID 22239885?
The IUPAC name of CID 22239885 (CID 22239885) is not available.
What is the SMILES notation for CID 22239885?
The canonical SMILES for CID 22239885 is Cc1cc2cccc(C)c(-c3ccccc3)c-2c1[Si]c1c(C)cc2cccc(C)c(-c3ccccc3)c1-2.
What is the InChIKey of CID 22239885?
The InChIKey is VKIJHKCUTFMZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30Si/c1-23-13-11-19-29-21-25(3)35(33(29)31(23)27-15-7-5-8-16-27)37-36-26(4)22-30-20-12-14-24(2)32(34(30)36)28-17-9-6-10-18-28/h5-22H,1-4H3.
What are the key properties of CID 22239885?
CID 22239885 has a molecular weight of 490.72 g/mol, XLogP of 8.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22239885 is sourced from PubChem (CID 22239885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).