10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine

C36H25F3N2OSe — CID 176668717

IUPAC10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5[Se]c5ccccc54)ccc(C)c23)cc1
InChIInChI=1S/C36H25F3N2OSe/c1-22-11-20-31(41-29-7-3-5-9-32(29)43-33-10-6-4-8-30(33)41)35-34(22)27(23-14-18-26(42-2)19-15-23)21-28(40-35)24-12-16-25(17-13-24)36(37,38)39/h3-21H,1-2H3
InChIKeyOODSYKDWILJLPT-UHFFFAOYSA-N
MW637.56 g/mol
LogP8.34
Rot. Bonds4

About 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine

10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine (PubChem CID 176668717) has the molecular formula C36H25F3N2OSe and a molecular weight of 637.56 g/mol. Its IUPAC name is 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine.

Molecular Properties

Compound Name10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine
PubChem CID176668717
Molecular FormulaC36H25F3N2OSe
Molecular Weight637.56 g/mol
Exact Mass638.11
IUPAC Name10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5[Se]c5ccccc54)ccc(C)c23)cc1
InChIInChI=1S/C36H25F3N2OSe/c1-22-11-20-31(41-29-7-3-5-9-32(29)43-33-10-6-4-8-30(33)41)35-34(22)27(23-14-18-26(42-2)19-15-23)21-28(40-35)24-12-16-25(17-13-24)36(37,38)39/h3-21H,1-2H3
InChIKeyOODSYKDWILJLPT-UHFFFAOYSA-N
XLogP8.34
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.56
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Methoxyphenyl)-2-phenylbenzo[g]quinoxaline
CID 1983598
Quinoxaline, 2,3-bis(4-methoxyphenyl)-6-methyl-
CID 215802
2,3-Bis(2-methoxyphenyl)benzo[g]quinoxaline
CID 1976384
7-(4-Methoxyphenyl)-2-methylquinoline
CID 44432673
CU(Dap)2 chloride
CID 60144211
3-Methoxy-9-(trifluoromethyl)-12-[4-(trifluoromethyl)phenyl]benzo[b]acridine;hydrochloride
CID 137640375
3-[2,4-Bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
CID 137651159
1-(4-Methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f][1,7]naphthyridine
CID 137651725
9-Methoxy-12-phenylbenzo[b]acridine;hydrochloride
CID 137653609
4,6-Bis(4-methoxyphenyl)-2-(trifluoromethyl)quinoline
CID 172467936
5-{4-[(2-Fluorobenzyl)oxy]phenyl}-3-methyl-1,2,3,4-tetrahydrobenzo[a]phenanthridine
CID 4042927
2-(Trifluoromethyl)-4-(4-methoxyphenyl)quinoline
CID 101887646

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine?
The IUPAC name of 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine (CID 176668717) is 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine.
What is the SMILES notation for 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine?
The canonical SMILES for 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine is COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5[Se]c5ccccc54)ccc(C)c23)cc1.
What is the InChIKey of 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine?
The InChIKey is OODSYKDWILJLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25F3N2OSe/c1-22-11-20-31(41-29-7-3-5-9-32(29)43-33-10-6-4-8-30(33)41)35-34(22)27(23-14-18-26(42-2)19-15-23)21-28(40-35)24-12-16-25(17-13-24)36(37,38)39/h3-21H,1-2H3.
What are the key properties of 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine?
10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine has a molecular weight of 637.56 g/mol, XLogP of 8.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4-methoxyphenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenoselenazine is sourced from PubChem (CID 176668717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).