CID 164943605

C49H30N3Se2 — CID 164943605

IUPAC—
SMILES[Se]c1c(-c2cccc(-c3ccccc3)c2)cccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3[se]c3ccccc34)n2)c2ccccc12
InChIInChI=1S/C49H30N3Se2/c53-45-35(34-19-11-18-33(30-34)31-14-3-1-4-15-31)23-12-24-40(45)38-28-29-42(37-21-8-7-20-36(37)38)48-50-47(32-16-5-2-6-17-32)51-49(52-48)43-26-13-25-41-39-22-9-10-27-44(39)54-46(41)43/h1-30H
InChIKeyWCPOKLVHHPSSKW-UHFFFAOYSA-N
MW818.72 g/mol
LogP11.18
Rot. Bonds6

About CID 164943605

CID 164943605 (PubChem CID 164943605) has the molecular formula C49H30N3Se2 and a molecular weight of 818.72 g/mol.

Molecular Properties

Compound NameCID 164943605
PubChem CID164943605
Molecular FormulaC49H30N3Se2
Molecular Weight818.72 g/mol
Exact Mass820.08
IUPAC Name—
SMILES[Se]c1c(-c2cccc(-c3ccccc3)c2)cccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3[se]c3ccccc34)n2)c2ccccc12
InChIInChI=1S/C49H30N3Se2/c53-45-35(34-19-11-18-33(30-34)31-14-3-1-4-15-31)23-12-24-40(45)38-28-29-42(37-21-8-7-20-36(37)38)48-50-47(32-16-5-2-6-17-32)51-49(52-48)43-26-13-25-41-39-22-9-10-27-44(39)54-46(41)43/h1-30H
InChIKeyWCPOKLVHHPSSKW-UHFFFAOYSA-N
XLogP11.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.72
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 164943605 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dibenzoselenophen-4-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164943489
2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 164943600
2-(4-dibenzoselenophen-4-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164943631
2-(6-chrysen-3-yldibenzoselenophen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-3-ylphenyl)-4-dibenzoselenophen-4-yl-6-phenyl-1,3,5-triazine
CID 167543310
2,4-diphenyl-6-[3-(6-phenyldibenzoselenophen-4-yl)phenyl]-1,3,5-triazine
CID 158019216
2-dibenzoselenophen-4-yl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 171445740
2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-(6-phenyldibenzoselenophen-1-yl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[5-(6-phenyldibenzoselenophen-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 167620138
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
CID 164943595
CID 164943595
2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 157180464
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 157451002
2-chloro-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;dibenzoselenophen-4-ylboronic acid;2-dibenzoselenophen-4-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 167688723

Frequently Asked Questions

What is the IUPAC name of CID 164943605?
The IUPAC name of CID 164943605 (CID 164943605) is not available.
What is the SMILES notation for CID 164943605?
The canonical SMILES for CID 164943605 is [Se]c1c(-c2cccc(-c3ccccc3)c2)cccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3[se]c3ccccc34)n2)c2ccccc12.
What is the InChIKey of CID 164943605?
The InChIKey is WCPOKLVHHPSSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N3Se2/c53-45-35(34-19-11-18-33(30-34)31-14-3-1-4-15-31)23-12-24-40(45)38-28-29-42(37-21-8-7-20-36(37)38)48-50-47(32-16-5-2-6-17-32)51-49(52-48)43-26-13-25-41-39-22-9-10-27-44(39)54-46(41)43/h1-30H.
What are the key properties of CID 164943605?
CID 164943605 has a molecular weight of 818.72 g/mol, XLogP of 11.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164943605 is sourced from PubChem (CID 164943605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).