3-(4-methylphenyl)-2,4-bis(phenyltellanyl)quinoline

C28H21NTe2 — CID 101491869

IUPAC3-(4-methylphenyl)-2,4-bis(phenyltellanyl)quinoline
SMILESCc1ccc(-c2c([Te]c3ccccc3)nc3ccccc3c2[Te]c2ccccc2)cc1
InChIInChI=1S/C28H21NTe2/c1-20-16-18-21(19-17-20)26-27(30-22-10-4-2-5-11-22)24-14-8-9-15-25(24)29-28(26)31-23-12-6-3-7-13-23/h2-19H,1H3
InChIKeySUSMDPQGVQHCEX-UHFFFAOYSA-N
MW626.68 g/mol
LogP3.52
Rot. Bonds5

About 3-(4-methylphenyl)-2,4-bis(phenyltellanyl)quinoline

3-(4-methylphenyl)-2,4-bis(phenyltellanyl)quinoline (PubChem CID 101491869) has the molecular formula C28H21NTe2 and a molecular weight of 626.68 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2,4-bis(phenyltellanyl)quinoline.

Molecular Properties

Compound Name3-(4-methylphenyl)-2,4-bis(phenyltellanyl)quinoline
PubChem CID101491869
Molecular FormulaC28H21NTe2
Molecular Weight626.68 g/mol
Exact Mass630.98
IUPAC Name3-(4-methylphenyl)-2,4-bis(phenyltellanyl)quinoline
SMILESCc1ccc(-c2c([Te]c3ccccc3)nc3ccccc3c2[Te]c2ccccc2)cc1
InChIInChI=1S/C28H21NTe2/c1-20-16-18-21(19-17-20)26-27(30-22-10-4-2-5-11-22)24-14-8-9-15-25(24)29-28(26)31-23-12-6-3-7-13-23/h2-19H,1H3
InChIKeySUSMDPQGVQHCEX-UHFFFAOYSA-N
XLogP3.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.68
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis[(4-methoxyphenyl)tellanyl]-3-phenylquinoline
CID 53387645
3,4-bis(4-methylphenyl)quinolin-2-amine
CID 102531411
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
6-(4-methylphenyl)phenanthridine
CID 10707098
12-(4-methylphenyl)benzo[a]acridine
CID 46187960
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
2-(4-methylphenyl)-3-(4-methylphenyl)tellanyl-1-benzofuran
CID 177419881
2-chloro-4-(4-methylphenyl)quinazoline
CID 3122268
9-methyl-10-(4-methylphenyl)anthracene
CID 159479529
7-methyl-6-(4-methylphenyl)phenanthridine
CID 135007702
9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
CID 58722434
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2,4-bis(phenyltellanyl)quinoline?
The IUPAC name of 3-(4-methylphenyl)-2,4-bis(phenyltellanyl)quinoline (CID 101491869) is 3-(4-methylphenyl)-2,4-bis(phenyltellanyl)quinoline.
What is the SMILES notation for 3-(4-methylphenyl)-2,4-bis(phenyltellanyl)quinoline?
The canonical SMILES for 3-(4-methylphenyl)-2,4-bis(phenyltellanyl)quinoline is Cc1ccc(-c2c([Te]c3ccccc3)nc3ccccc3c2[Te]c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2,4-bis(phenyltellanyl)quinoline?
The InChIKey is SUSMDPQGVQHCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NTe2/c1-20-16-18-21(19-17-20)26-27(30-22-10-4-2-5-11-22)24-14-8-9-15-25(24)29-28(26)31-23-12-6-3-7-13-23/h2-19H,1H3.
What are the key properties of 3-(4-methylphenyl)-2,4-bis(phenyltellanyl)quinoline?
3-(4-methylphenyl)-2,4-bis(phenyltellanyl)quinoline has a molecular weight of 626.68 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2,4-bis(phenyltellanyl)quinoline is sourced from PubChem (CID 101491869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).