trimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane

C37H28F3NSi — CID 177091525

IUPACtrimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane
SMILESC[Si](C)(C)c1ccc(-c2ccc3c(ccc4c5ccnc(-c6cc(C(F)(F)F)c7ccccc7c6)c5ccc34)c2)cc1
InChIInChI=1S/C37H28F3NSi/c1-42(2,3)28-12-8-23(9-13-28)24-10-14-29-26(20-24)11-15-32-31(29)16-17-34-33(32)18-19-41-36(34)27-21-25-6-4-5-7-30(25)35(22-27)37(38,39)40/h4-22H,1-3H3
InChIKeyQPIROOJJQMINRE-UHFFFAOYSA-N
MW571.72 g/mol
LogP10.59
Rot. Bonds3

About trimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane

trimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane (PubChem CID 177091525) has the molecular formula C37H28F3NSi and a molecular weight of 571.72 g/mol. Its IUPAC name is trimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane
PubChem CID177091525
Molecular FormulaC37H28F3NSi
Molecular Weight571.72 g/mol
Exact Mass571.19
IUPAC Nametrimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane
SMILESC[Si](C)(C)c1ccc(-c2ccc3c(ccc4c5ccnc(-c6cc(C(F)(F)F)c7ccccc7c6)c5ccc34)c2)cc1
InChIInChI=1S/C37H28F3NSi/c1-42(2,3)28-12-8-23(9-13-28)24-10-14-29-26(20-24)11-15-32-31(29)16-17-34-33(32)18-19-41-36(34)27-21-25-6-4-5-7-30(25)35(22-27)37(38,39)40/h4-22H,1-3H3
InChIKeyQPIROOJJQMINRE-UHFFFAOYSA-N
XLogP10.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.72
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

8-(4-methylphenyl)-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline
CID 177091528
8-fluoro-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline
CID 177091467
4-(5-fluoronaphthalen-2-yl)benzo[f]isoquinoline
CID 162482672
4-(3,5-dimethylphenyl)-8-(trifluoromethyl)benzo[f]isoquinoline
CID 154589438
4-(4-anthracen-9-ylphenyl)benzo[f]isoquinoline
CID 157309790
trimethyl-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]silane
CID 171056374
[4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane
CID 171764340
4-(4-tert-butylnaphthalen-2-yl)-8-(2,6-difluorophenyl)benzo[c][2,7]naphthyridine
CID 176751480
4-[4-(difluoromethyl)naphthalen-2-yl]-8-methylbenzo[f]isoquinoline
CID 170520724
1-(4-tert-butylnaphthalen-2-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 168852879
6-(3-tert-butyl-5-methylphenyl)-7-azapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5(10),6,8,12,15,17,19,21-undecaene
CID 171417966
3-[7-(3-trimethylsilylphenyl)benzo[f]isoquinolin-4-yl]naphthalene-1-carbonitrile
CID 177293430

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane?
The IUPAC name of trimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane (CID 177091525) is trimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane.
What is the SMILES notation for trimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane?
The canonical SMILES for trimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane is C[Si](C)(C)c1ccc(-c2ccc3c(ccc4c5ccnc(-c6cc(C(F)(F)F)c7ccccc7c6)c5ccc34)c2)cc1.
What is the InChIKey of trimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane?
The InChIKey is QPIROOJJQMINRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28F3NSi/c1-42(2,3)28-12-8-23(9-13-28)24-10-14-29-26(20-24)11-15-32-31(29)16-17-34-33(32)18-19-41-36(34)27-21-25-6-4-5-7-30(25)35(22-27)37(38,39)40/h4-22H,1-3H3.
What are the key properties of trimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane?
trimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane has a molecular weight of 571.72 g/mol, XLogP of 10.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinolin-8-yl]phenyl]silane is sourced from PubChem (CID 177091525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).