3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile

C33H26N2Si — CID 177293430

IUPAC3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile
SMILESC[Si](C)(C)c1cccc(-c2cccc3c2ccc2c(-c4cc(C#N)c5ccccc5c4)nccc23)c1
InChIInChI=1S/C33H26N2Si/c1-36(2,3)26-10-6-9-23(20-26)28-12-7-13-29-30(28)14-15-32-31(29)16-17-35-33(32)24-18-22-8-4-5-11-27(22)25(19-24)21-34/h4-20H,1-3H3
InChIKeyKZZULBKZTVYCJC-UHFFFAOYSA-N
MW478.67 g/mol
LogP8.29
Rot. Bonds3

About 3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile

3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile (PubChem CID 177293430) has the molecular formula C33H26N2Si and a molecular weight of 478.67 g/mol. Its IUPAC name is 3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile
PubChem CID177293430
Molecular FormulaC33H26N2Si
Molecular Weight478.67 g/mol
Exact Mass478.19
IUPAC Name3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile
SMILESC[Si](C)(C)c1cccc(-c2cccc3c2ccc2c(-c4cc(C#N)c5ccccc5c4)nccc23)c1
InChIInChI=1S/C33H26N2Si/c1-36(2,3)26-10-6-9-23(20-26)28-12-7-13-29-30(28)14-15-32-31(29)16-17-35-33(32)24-18-22-8-4-5-11-27(22)25(19-24)21-34/h4-20H,1-3H3
InChIKeyKZZULBKZTVYCJC-UHFFFAOYSA-N
XLogP8.29
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.67
LogP ≤ 58.29
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

3-[7-(4-trimethylgermylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile
CID 177293457
3-(6-fluoro-8-methylbenzo[f]isoquinolin-4-yl)naphthalene-1-carbonitrile
CID 177293422
3-[4-(4-phenylphenyl)-2-pyridinyl]naphthalene-1-carbonitrile
CID 169300994
(Z)-4-hydroxypent-3-en-2-one;iridium;3-[6-(3-trimethylsilylphenyl)isoquinolin-1-yl]-4H-naphthalen-4-ide-1-carbonitrile
CID 176878560
trimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane
CID 177091525
3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile
CID 168774831
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;3-[7-(4-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]-4H-naphthalen-4-ide-1-carbonitrile
CID 177293440
9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-1-yl]phenanthrene;9-[6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]phenanthrene;9-[7-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]phenanthrene;9-[7-(7-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenanthrene;trimethyl-[7-[5-[5-(7-trimethylsilylphenanthren-2-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthren-2-yl]silane
CID 157178892
4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline
CID 162482672
(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;3-[7-(4-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]-4H-naphthalen-4-ide-1-carbonitrile
CID 177293384
1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 159845320
8-methyl-1-phenylnaphtho[2,1-f]isoquinoline
CID 118595090

Frequently Asked Questions

What is the IUPAC name of 3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile?
The IUPAC name of 3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile (CID 177293430) is 3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile is C[Si](C)(C)c1cccc(-c2cccc3c2ccc2c(-c4cc(C#N)c5ccccc5c4)nccc23)c1.
What is the InChIKey of 3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile?
The InChIKey is KZZULBKZTVYCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2Si/c1-36(2,3)26-10-6-9-23(20-26)28-12-7-13-29-30(28)14-15-32-31(29)16-17-35-33(32)24-18-22-8-4-5-11-27(22)25(19-24)21-34/h4-20H,1-3H3.
What are the key properties of 3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile?
3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile has a molecular weight of 478.67 g/mol, XLogP of 8.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 177293430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).