4-[3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzene-1,2-dicarbonitrile

C27H46N2O5Si6 — CID 150190491

IUPAC4-[3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzene-1,2-dicarbonitrile
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1cccc(-c2ccc(C#N)c(C#N)c2)c1
InChIInChI=1S/C27H46N2O5Si6/c1-35(2,3)30-37(6,7)32-39(10,11)34-40(12,13)33-38(8,9)31-36(4,5)27-16-14-15-23(20-27)24-17-18-25(21-28)26(19-24)22-29/h14-20H,1-13H3
InChIKeyFNIHJPMOPQNTFR-UHFFFAOYSA-N
MW647.19 g/mol
LogP7.23
Rot. Bonds12

About 4-[3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzene-1,2-dicarbonitrile

4-[3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzene-1,2-dicarbonitrile (PubChem CID 150190491) has the molecular formula C27H46N2O5Si6 and a molecular weight of 647.19 g/mol. Its IUPAC name is 4-[3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzene-1,2-dicarbonitrile
PubChem CID150190491
Molecular FormulaC27H46N2O5Si6
Molecular Weight647.19 g/mol
Exact Mass646.20
IUPAC Name4-[3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzene-1,2-dicarbonitrile
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1cccc(-c2ccc(C#N)c(C#N)c2)c1
InChIInChI=1S/C27H46N2O5Si6/c1-35(2,3)30-37(6,7)32-39(10,11)34-40(12,13)33-38(8,9)31-36(4,5)27-16-14-15-23(20-27)24-17-18-25(21-28)26(19-24)22-29/h14-20H,1-13H3
InChIKeyFNIHJPMOPQNTFR-UHFFFAOYSA-N
XLogP7.23
TPSA93.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.19
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]benzene-1,2-dicarbonitrile
CID 153321857
4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile
CID 21219307
4-(2,3,4,5,6-pentakis-phenylphenyl)benzene-1,2-dicarbonitrile
CID 86200455
5-(3-chlorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684041
5-(3-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684040
ethane;4-[5,10,11,16,17-pentakis(3,4-dicyanophenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaen-4-yl]benzene-1,2-dicarbonitrile
CID 142906420
trimethyl-[3-[4-[3-[4-(3-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]silane
CID 101404035
5-(3-methoxyphenyl)-2-phenylmethoxybenzonitrile
CID 175686469
4-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)benzene-1,2-dicarbonitrile
CID 145125957
4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile
CID 15889206
2-methylsulfanyl-4-phenylbenzonitrile
CID 11528692
4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile
CID 746627

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzene-1,2-dicarbonitrile (CID 150190491) is 4-[3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzene-1,2-dicarbonitrile is C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1cccc(-c2ccc(C#N)c(C#N)c2)c1.
What is the InChIKey of 4-[3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzene-1,2-dicarbonitrile?
The InChIKey is FNIHJPMOPQNTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N2O5Si6/c1-35(2,3)30-37(6,7)32-39(10,11)34-40(12,13)33-38(8,9)31-36(4,5)27-16-14-15-23(20-27)24-17-18-25(21-28)26(19-24)22-29/h14-20H,1-13H3.
What are the key properties of 4-[3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzene-1,2-dicarbonitrile?
4-[3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzene-1,2-dicarbonitrile has a molecular weight of 647.19 g/mol, XLogP of 7.23, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 150190491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).