CID 164943651

C43H28N3Se — CID 164943651

IUPAC—
SMILES[Se]c1ccc(-c2cccc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc23)cc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C43H28N3Se/c47-40-25-24-35(27-39(40)34-20-10-19-33(26-34)29-12-4-1-5-13-29)37-21-11-18-30-22-23-36(28-38(30)37)43-45-41(31-14-6-2-7-15-31)44-42(46-43)32-16-8-3-9-17-32/h1-28H
InChIKeyUDRVMSPIFSJHHB-UHFFFAOYSA-N
MW665.68 g/mol
LogP9.82
Rot. Bonds6

About CID 164943651

CID 164943651 (PubChem CID 164943651) has the molecular formula C43H28N3Se and a molecular weight of 665.68 g/mol.

Molecular Properties

Compound NameCID 164943651
PubChem CID164943651
Molecular FormulaC43H28N3Se
Molecular Weight665.68 g/mol
Exact Mass666.14
IUPAC Name—
SMILES[Se]c1ccc(-c2cccc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc23)cc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C43H28N3Se/c47-40-25-24-35(27-39(40)34-20-10-19-33(26-34)29-12-4-1-5-13-29)37-21-11-18-30-22-23-36(28-38(30)37)43-45-41(31-14-6-2-7-15-31)44-42(46-43)32-16-8-3-9-17-32/h1-28H
InChIKeyUDRVMSPIFSJHHB-UHFFFAOYSA-N
XLogP9.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.68
LogP ≤ 59.82
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

2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 121258017
2-naphthalen-2-yl-4-[3-(6-naphthalen-1-yl-4-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169040010
2-[8-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244524
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161312431
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169302485
2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311645
2-(4-phenanthren-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 122416295
2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine
CID 158833777
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158640936
2-[3-(2-naphthalen-1-yl-4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297158
2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730921
2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076782

Frequently Asked Questions

What is the IUPAC name of CID 164943651?
The IUPAC name of CID 164943651 (CID 164943651) is not available.
What is the SMILES notation for CID 164943651?
The canonical SMILES for CID 164943651 is [Se]c1ccc(-c2cccc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc23)cc1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of CID 164943651?
The InChIKey is UDRVMSPIFSJHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N3Se/c47-40-25-24-35(27-39(40)34-20-10-19-33(26-34)29-12-4-1-5-13-29)37-21-11-18-30-22-23-36(28-38(30)37)43-45-41(31-14-6-2-7-15-31)44-42(46-43)32-16-8-3-9-17-32/h1-28H.
What are the key properties of CID 164943651?
CID 164943651 has a molecular weight of 665.68 g/mol, XLogP of 9.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164943651 is sourced from PubChem (CID 164943651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).