CID 139249420

C27H36Cl2N2Si — CID 139249420

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1N1[C]N(c2c(C(C)C)cccc2C(C)C)C=C1.Cl[Si]Cl
InChIInChI=1S/C27H36N2.Cl2Si/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-3-2/h9-16,18-21H,1-8H3;
InChIKeyKDYZERSUMQTCIA-UHFFFAOYSA-N
MW487.59 g/mol
LogP8.97
Rot. Bonds6

About CID 139249420

CID 139249420 (PubChem CID 139249420) has the molecular formula C27H36Cl2N2Si and a molecular weight of 487.59 g/mol.

Molecular Properties

Compound NameCID 139249420
PubChem CID139249420
Molecular FormulaC27H36Cl2N2Si
Molecular Weight487.59 g/mol
Exact Mass486.20
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1N1[C]N(c2c(C(C)C)cccc2C(C)C)C=C1.Cl[Si]Cl
InChIInChI=1S/C27H36N2.Cl2Si/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-3-2/h9-16,18-21H,1-8H3;
InChIKeyKDYZERSUMQTCIA-UHFFFAOYSA-N
XLogP8.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.59
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 139249420?
The IUPAC name of CID 139249420 (CID 139249420) is not available.
What is the SMILES notation for CID 139249420?
The canonical SMILES for CID 139249420 is CC(C)c1cccc(C(C)C)c1N1[C]N(c2c(C(C)C)cccc2C(C)C)C=C1.Cl[Si]Cl.
What is the InChIKey of CID 139249420?
The InChIKey is KDYZERSUMQTCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2.Cl2Si/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-3-2/h9-16,18-21H,1-8H3;.
What are the key properties of CID 139249420?
CID 139249420 has a molecular weight of 487.59 g/mol, XLogP of 8.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139249420 is sourced from PubChem (CID 139249420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).