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

C33H26GeN2 — CID 177293457

IUPAC3-[7-(4-trimethylgermylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile
SMILESC[Ge](C)(C)c1ccc(-c2cccc3c2ccc2c(-c4cc(C#N)c5ccccc5c4)nccc23)cc1
InChIInChI=1S/C33H26GeN2/c1-34(2,3)26-13-11-22(12-14-26)28-9-6-10-29-30(28)15-16-32-31(29)17-18-36-33(32)24-19-23-7-4-5-8-27(23)25(20-24)21-35/h4-20H,1-3H3
InChIKeyPNPDNSPRUQQSKW-UHFFFAOYSA-N
MW523.20 g/mol
LogP8.29
Rot. Bonds3

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

3-[7-(4-trimethylgermylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile (PubChem CID 177293457) has the molecular formula C33H26GeN2 and a molecular weight of 523.20 g/mol. Its IUPAC name is 3-[7-(4-trimethylgermylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name3-[7-(4-trimethylgermylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile
PubChem CID177293457
Molecular FormulaC33H26GeN2
Molecular Weight523.20 g/mol
Exact Mass524.13
IUPAC Name3-[7-(4-trimethylgermylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile
SMILESC[Ge](C)(C)c1ccc(-c2cccc3c2ccc2c(-c4cc(C#N)c5ccccc5c4)nccc23)cc1
InChIInChI=1S/C33H26GeN2/c1-34(2,3)26-13-11-22(12-14-26)28-9-6-10-29-30(28)15-16-32-31(29)17-18-36-33(32)24-19-23-7-4-5-8-27(23)25(20-24)21-35/h4-20H,1-3H3
InChIKeyPNPDNSPRUQQSKW-UHFFFAOYSA-N
XLogP8.29
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.20
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile
CID 177293430
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
[4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylgermane
CID 171764285
4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline
CID 162482672
[4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane
CID 171764449
(Z)-4-hydroxypent-3-en-2-one;iridium;3-[8-methyl-7-(4-trimethylgermylphenyl)benzo[f]isoquinolin-4-yl]-4H-naphthalen-4-ide-1-carbonitrile
CID 177293388
4-(4-anthracen-9-ylphenyl)benzo[f]isoquinoline
CID 157309790
3-[3-[4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]naphthalene-1-carbonitrile
CID 168774831
8-(4-methylphenyl)-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline
CID 177091528
1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline
CID 144968144
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

Frequently Asked Questions

What is the IUPAC name of 3-[7-(4-trimethylgermylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile?
The IUPAC name of 3-[7-(4-trimethylgermylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile (CID 177293457) is 3-[7-(4-trimethylgermylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 3-[7-(4-trimethylgermylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 3-[7-(4-trimethylgermylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile is C[Ge](C)(C)c1ccc(-c2cccc3c2ccc2c(-c4cc(C#N)c5ccccc5c4)nccc23)cc1.
What is the InChIKey of 3-[7-(4-trimethylgermylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile?
The InChIKey is PNPDNSPRUQQSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26GeN2/c1-34(2,3)26-13-11-22(12-14-26)28-9-6-10-29-30(28)15-16-32-31(29)17-18-36-33(32)24-19-23-7-4-5-8-27(23)25(20-24)21-35/h4-20H,1-3H3.
What are the key properties of 3-[7-(4-trimethylgermylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile?
3-[7-(4-trimethylgermylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile has a molecular weight of 523.20 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-(4-trimethylgermylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 177293457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).