CID 164943703

C32H21N2Se — CID 164943703

IUPAC—
SMILES[Se]c1c(-c2cccc(-c3ccccc3)c2)cccc1-c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C32H21N2Se/c35-32-26(25-16-9-15-24(21-25)22-11-3-1-4-12-22)17-10-18-27(32)31-30(23-13-5-2-6-14-23)33-28-19-7-8-20-29(28)34-31/h1-21H
InChIKeyUCHZOVQCGODWJT-UHFFFAOYSA-N
MW512.49 g/mol
LogP7.09
Rot. Bonds4

About CID 164943703

CID 164943703 (PubChem CID 164943703) has the molecular formula C32H21N2Se and a molecular weight of 512.49 g/mol.

Molecular Properties

Compound NameCID 164943703
PubChem CID164943703
Molecular FormulaC32H21N2Se
Molecular Weight512.49 g/mol
Exact Mass513.09
IUPAC Name—
SMILES[Se]c1c(-c2cccc(-c3ccccc3)c2)cccc1-c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C32H21N2Se/c35-32-26(25-16-9-15-24(21-25)22-11-3-1-4-12-22)17-10-18-27(32)31-30(23-13-5-2-6-14-23)33-28-19-7-8-20-29(28)34-31/h1-21H
InChIKeyUCHZOVQCGODWJT-UHFFFAOYSA-N
XLogP7.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.49
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-3-(3-phenylphenyl)quinoxaline
CID 175058958
2,3-bis(3-phenylphenyl)quinoxaline
CID 154589163
2,3-bis(3-phenylphenyl)quinoxaline;2,3-bis(4-phenylphenyl)quinoxaline;5-(3,5-dinaphthalen-2-ylphenyl)-2,3-diphenylquinoxaline;5-(4-naphthalen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 159465562
2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline
CID 176785222
5-(4-naphthalen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 146334552
N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 59702508
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 156561648
2-phenyl-3-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]quinoxaline
CID 176818332
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-3-(4-phenylphenyl)quinoxaline
CID 167143626
2-(2,5-dibromophenyl)-3-phenylquinoxaline
CID 101356816
CID 164943595
CID 164943595
2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline
CID 164781299

Frequently Asked Questions

What is the IUPAC name of CID 164943703?
The IUPAC name of CID 164943703 (CID 164943703) is not available.
What is the SMILES notation for CID 164943703?
The canonical SMILES for CID 164943703 is [Se]c1c(-c2cccc(-c3ccccc3)c2)cccc1-c1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of CID 164943703?
The InChIKey is UCHZOVQCGODWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N2Se/c35-32-26(25-16-9-15-24(21-25)22-11-3-1-4-12-22)17-10-18-27(32)31-30(23-13-5-2-6-14-23)33-28-19-7-8-20-29(28)34-31/h1-21H.
What are the key properties of CID 164943703?
CID 164943703 has a molecular weight of 512.49 g/mol, XLogP of 7.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164943703 is sourced from PubChem (CID 164943703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).