[4-[7-(4-dimethylsilylphenyl)-2,9-dimethyl-1,10-phenanthrolin-4-yl]phenyl]-dimethylsilane

C30H32N2Si2 — CID 137328798

IUPAC[4-[7-(4-dimethylsilylphenyl)-2,9-dimethyl-1,10-phenanthrolin-4-yl]phenyl]-dimethylsilane
SMILESCc1cc(-c2ccc([SiH](C)C)cc2)c2ccc3c(-c4ccc([SiH](C)C)cc4)cc(C)nc3c2n1
InChIInChI=1S/C30H32N2Si2/c1-19-17-27(21-7-11-23(12-8-21)33(3)4)25-15-16-26-28(18-20(2)32-30(26)29(25)31-19)22-9-13-24(14-10-22)34(5)6/h7-18,33-34H,1-6H3
InChIKeyVFQXLBBXYMDOEY-UHFFFAOYSA-N
MW476.77 g/mol
LogP6.12
Rot. Bonds4

About [4-[7-(4-dimethylsilylphenyl)-2,9-dimethyl-1,10-phenanthrolin-4-yl]phenyl]-dimethylsilane

[4-[7-(4-dimethylsilylphenyl)-2,9-dimethyl-1,10-phenanthrolin-4-yl]phenyl]-dimethylsilane (PubChem CID 137328798) has the molecular formula C30H32N2Si2 and a molecular weight of 476.77 g/mol. Its IUPAC name is [4-[7-(4-dimethylsilylphenyl)-2,9-dimethyl-1,10-phenanthrolin-4-yl]phenyl]-dimethylsilane.

Molecular Properties

Compound Name[4-[7-(4-dimethylsilylphenyl)-2,9-dimethyl-1,10-phenanthrolin-4-yl]phenyl]-dimethylsilane
PubChem CID137328798
Molecular FormulaC30H32N2Si2
Molecular Weight476.77 g/mol
Exact Mass476.21
IUPAC Name[4-[7-(4-dimethylsilylphenyl)-2,9-dimethyl-1,10-phenanthrolin-4-yl]phenyl]-dimethylsilane
SMILESCc1cc(-c2ccc([SiH](C)C)cc2)c2ccc3c(-c4ccc([SiH](C)C)cc4)cc(C)nc3c2n1
InChIInChI=1S/C30H32N2Si2/c1-19-17-27(21-7-11-23(12-8-21)33(3)4)25-15-16-26-28(18-20(2)32-30(26)29(25)31-19)22-9-13-24(14-10-22)34(5)6/h7-18,33-34H,1-6H3
InChIKeyVFQXLBBXYMDOEY-UHFFFAOYSA-N
XLogP6.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.77
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline
CID 71202847
5-[4-(2,9-dimethyl-1,10-phenanthrolin-5-yl)phenyl]-2,9-dimethyl-1,10-phenanthroline
CID 102191847
2-methyl-4,7,9-triphenyl-1,10-phenanthroline
CID 58704555
2-[2,5-dimethyl-4-(9-methyl-4,7-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-9-methyl-4,7-diphenyl-1,10-phenanthroline
CID 59736414
disodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;methanesulfonate;hydrate
CID 154701020
3-[2,9-dimethyl-7-(4-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate
CID 101425604
4,7-bis[4-(6-bromohexoxy)phenyl]-2,9-dimethyl-1,10-phenanthroline
CID 169016928
2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;sulfo hydrogen sulfate
CID 69027063
[4-(2,9-dimethyl-1,10-phenanthrolin-5-yl)phenyl]-trimethylsilane
CID 11485093
2,9-dimethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenyl-1,10-phenanthroline
CID 146321201
2-methyl-9-[2-methyl-4-(9-methyl-7-phenyl-1,10-phenanthrolin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline
CID 59736480
4,7-bis(3,5-dihexylphenyl)-2,9-dimethyl-1,10-phenanthroline
CID 141480424

Frequently Asked Questions

What is the IUPAC name of [4-[7-(4-dimethylsilylphenyl)-2,9-dimethyl-1,10-phenanthrolin-4-yl]phenyl]-dimethylsilane?
The IUPAC name of [4-[7-(4-dimethylsilylphenyl)-2,9-dimethyl-1,10-phenanthrolin-4-yl]phenyl]-dimethylsilane (CID 137328798) is [4-[7-(4-dimethylsilylphenyl)-2,9-dimethyl-1,10-phenanthrolin-4-yl]phenyl]-dimethylsilane.
What is the SMILES notation for [4-[7-(4-dimethylsilylphenyl)-2,9-dimethyl-1,10-phenanthrolin-4-yl]phenyl]-dimethylsilane?
The canonical SMILES for [4-[7-(4-dimethylsilylphenyl)-2,9-dimethyl-1,10-phenanthrolin-4-yl]phenyl]-dimethylsilane is Cc1cc(-c2ccc([SiH](C)C)cc2)c2ccc3c(-c4ccc([SiH](C)C)cc4)cc(C)nc3c2n1.
What is the InChIKey of [4-[7-(4-dimethylsilylphenyl)-2,9-dimethyl-1,10-phenanthrolin-4-yl]phenyl]-dimethylsilane?
The InChIKey is VFQXLBBXYMDOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2Si2/c1-19-17-27(21-7-11-23(12-8-21)33(3)4)25-15-16-26-28(18-20(2)32-30(26)29(25)31-19)22-9-13-24(14-10-22)34(5)6/h7-18,33-34H,1-6H3.
What are the key properties of [4-[7-(4-dimethylsilylphenyl)-2,9-dimethyl-1,10-phenanthrolin-4-yl]phenyl]-dimethylsilane?
[4-[7-(4-dimethylsilylphenyl)-2,9-dimethyl-1,10-phenanthrolin-4-yl]phenyl]-dimethylsilane has a molecular weight of 476.77 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-(4-dimethylsilylphenyl)-2,9-dimethyl-1,10-phenanthrolin-4-yl]phenyl]-dimethylsilane is sourced from PubChem (CID 137328798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).