CID 150672256

C30H42NSiTi — CID 150672256

IUPAC—
SMILESCc1c[c-](C)c(C)c1C.[NH-]C1CCCCCCCC1.[Ti+2].c1ccc([SiH]c2ccccc2)cc1
InChIInChI=1S/C12H11Si.C9H18N.C9H13.Ti/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;10-9-7-5-3-1-2-4-6-8-9;1-6-5-7(2)9(4)8(6)3;/h1-10,13H;9-10H,1-8H2;5H,1-4H3;/q;2*-1;+2
InChIKeyQYUHHCWJJYVPBF-UHFFFAOYSA-N
MW492.63 g/mol
LogP7.25
Rot. Bonds2

About CID 150672256

CID 150672256 (PubChem CID 150672256) has the molecular formula C30H42NSiTi and a molecular weight of 492.63 g/mol.

Molecular Properties

Compound NameCID 150672256
PubChem CID150672256
Molecular FormulaC30H42NSiTi
Molecular Weight492.63 g/mol
Exact Mass492.26
IUPAC Name—
SMILESCc1c[c-](C)c(C)c1C.[NH-]C1CCCCCCCC1.[Ti+2].c1ccc([SiH]c2ccccc2)cc1
InChIInChI=1S/C12H11Si.C9H18N.C9H13.Ti/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;10-9-7-5-3-1-2-4-6-8-9;1-6-5-7(2)9(4)8(6)3;/h1-10,13H;9-10H,1-8H2;5H,1-4H3;/q;2*-1;+2
InChIKeyQYUHHCWJJYVPBF-UHFFFAOYSA-N
XLogP7.25
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 150672256?
The IUPAC name of CID 150672256 (CID 150672256) is not available.
What is the SMILES notation for CID 150672256?
The canonical SMILES for CID 150672256 is Cc1c[c-](C)c(C)c1C.[NH-]C1CCCCCCCC1.[Ti+2].c1ccc([SiH]c2ccccc2)cc1.
What is the InChIKey of CID 150672256?
The InChIKey is QYUHHCWJJYVPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Si.C9H18N.C9H13.Ti/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;10-9-7-5-3-1-2-4-6-8-9;1-6-5-7(2)9(4)8(6)3;/h1-10,13H;9-10H,1-8H2;5H,1-4H3;/q;2*-1;+2.
What are the key properties of CID 150672256?
CID 150672256 has a molecular weight of 492.63 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 150672256 is sourced from PubChem (CID 150672256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).