ethane;3-methyl-4-(3-methyldibenzoselenophen-4-yl)dibenzoselenophene;propane

C31H32Se2 — CID 145449711

IUPACethane;3-methyl-4-(3-methyldibenzoselenophen-4-yl)dibenzoselenophene;propane
SMILESCC.CCC.Cc1ccc2c([se]c3ccccc32)c1-c1c(C)ccc2c1[se]c1ccccc12
InChIInChI=1S/C26H18Se2.C3H8.C2H6/c1-15-11-13-19-17-7-3-5-9-21(17)27-25(19)23(15)24-16(2)12-14-20-18-8-4-6-10-22(18)28-26(20)24;1-3-2;1-2/h3-14H,1-2H3;3H2,1-2H3;1-2H3
InChIKeyGFPPKGWQYQCQES-UHFFFAOYSA-N
MW562.52 g/mol
LogP9.14
Rot. Bonds1

About ethane;3-methyl-4-(3-methyldibenzoselenophen-4-yl)dibenzoselenophene;propane

ethane;3-methyl-4-(3-methyldibenzoselenophen-4-yl)dibenzoselenophene;propane (PubChem CID 145449711) has the molecular formula C31H32Se2 and a molecular weight of 562.52 g/mol. Its IUPAC name is ethane;3-methyl-4-(3-methyldibenzoselenophen-4-yl)dibenzoselenophene;propane.

Molecular Properties

Compound Nameethane;3-methyl-4-(3-methyldibenzoselenophen-4-yl)dibenzoselenophene;propane
PubChem CID145449711
Molecular FormulaC31H32Se2
Molecular Weight562.52 g/mol
Exact Mass564.08
IUPAC Nameethane;3-methyl-4-(3-methyldibenzoselenophen-4-yl)dibenzoselenophene;propane
SMILESCC.CCC.Cc1ccc2c([se]c3ccccc32)c1-c1c(C)ccc2c1[se]c1ccccc12
InChIInChI=1S/C26H18Se2.C3H8.C2H6/c1-15-11-13-19-17-7-3-5-9-21(17)27-25(19)23(15)24-16(2)12-14-20-18-8-4-6-10-22(18)28-26(20)24;1-3-2;1-2/h3-14H,1-2H3;3H2,1-2H3;1-2H3
InChIKeyGFPPKGWQYQCQES-UHFFFAOYSA-N
XLogP9.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.52
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;3-methyl-4-(3-methyldibenzoselenophen-4-yl)dibenzoselenophene;propane 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

1,2-dimethylnaphthalene;ethane;propane
CID 90958253
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
N-dibenzoselenophen-4-yl-N-phenyldibenzoselenophen-4-amine
CID 59245757
12-selenapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59245745
2-(8-isocyano-3-methyldibenzoselenophen-4-yl)-1-methylpyridin-1-ium
CID 154615193
1,2-dimethylnaphthalene;ethane
CID 90922397
N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine
CID 171445365
2-methyl-1-(3-methylselenophen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-2-ium
CID 167427551
ethyl dibenzoselenophene-1-carboxylate
CID 86218892
4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline
CID 171445746
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4-(3-methyldibenzoselenophen-4-yl)dibenzoselenophene;propane?
The IUPAC name of ethane;3-methyl-4-(3-methyldibenzoselenophen-4-yl)dibenzoselenophene;propane (CID 145449711) is ethane;3-methyl-4-(3-methyldibenzoselenophen-4-yl)dibenzoselenophene;propane.
What is the SMILES notation for ethane;3-methyl-4-(3-methyldibenzoselenophen-4-yl)dibenzoselenophene;propane?
The canonical SMILES for ethane;3-methyl-4-(3-methyldibenzoselenophen-4-yl)dibenzoselenophene;propane is CC.CCC.Cc1ccc2c([se]c3ccccc32)c1-c1c(C)ccc2c1[se]c1ccccc12.
What is the InChIKey of ethane;3-methyl-4-(3-methyldibenzoselenophen-4-yl)dibenzoselenophene;propane?
The InChIKey is GFPPKGWQYQCQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Se2.C3H8.C2H6/c1-15-11-13-19-17-7-3-5-9-21(17)27-25(19)23(15)24-16(2)12-14-20-18-8-4-6-10-22(18)28-26(20)24;1-3-2;1-2/h3-14H,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-4-(3-methyldibenzoselenophen-4-yl)dibenzoselenophene;propane?
ethane;3-methyl-4-(3-methyldibenzoselenophen-4-yl)dibenzoselenophene;propane has a molecular weight of 562.52 g/mol, XLogP of 9.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4-(3-methyldibenzoselenophen-4-yl)dibenzoselenophene;propane is sourced from PubChem (CID 145449711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).