dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane

C31H26N2Si — CID 140719813

IUPACdimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane
SMILESC[Si](C)(c1ccccc1)c1ccc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)nc1
InChIInChI=1S/C31H26N2Si/c1-34(2,24-14-7-4-8-15-24)25-20-21-29(32-22-25)28-18-11-17-27-26-16-9-10-19-30(26)33(31(27)28)23-12-5-3-6-13-23/h3-22H,1-2H3
InChIKeyASCMAMLZTSECRY-UHFFFAOYSA-N
MW454.65 g/mol
LogP6.67
Rot. Bonds4

About dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane

dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane (PubChem CID 140719813) has the molecular formula C31H26N2Si and a molecular weight of 454.65 g/mol. Its IUPAC name is dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane
PubChem CID140719813
Molecular FormulaC31H26N2Si
Molecular Weight454.65 g/mol
Exact Mass454.19
IUPAC Namedimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane
SMILESC[Si](C)(c1ccccc1)c1ccc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)nc1
InChIInChI=1S/C31H26N2Si/c1-34(2,24-14-7-4-8-15-24)25-20-21-29(32-22-25)28-18-11-17-27-26-16-9-10-19-30(26)33(31(27)28)23-12-5-3-6-13-23/h3-22H,1-2H3
InChIKeyASCMAMLZTSECRY-UHFFFAOYSA-N
XLogP6.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.65
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane?
The IUPAC name of dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane (CID 140719813) is dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane.
What is the SMILES notation for dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane?
The canonical SMILES for dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane is C[Si](C)(c1ccccc1)c1ccc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)nc1.
What is the InChIKey of dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane?
The InChIKey is ASCMAMLZTSECRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2Si/c1-34(2,24-14-7-4-8-15-24)25-20-21-29(32-22-25)28-18-11-17-27-26-16-9-10-19-30(26)33(31(27)28)23-12-5-3-6-13-23/h3-22H,1-2H3.
What are the key properties of dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane?
dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane has a molecular weight of 454.65 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 140719813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).