[3-[1-[3-[1-(3,5-dimethylphenyl)ethenyl]-5-(3-methylbenzoyl)phenyl]ethenyl]-5-[1-(3,4,5-trimethylcyclohexa-1,5-dien-1-yl)ethenyl]phenyl]-(3-methylphenyl)methanone

C51H48O2 — CID 163534602

IUPAC[3-[1-[3-[1-(3,5-dimethylphenyl)ethenyl]-5-(3-methylbenzoyl)phenyl]ethenyl]-5-[1-(3,4,5-trimethylcyclohexa-1,5-dien-1-yl)ethenyl]phenyl]-(3-methylphenyl)methanone
SMILESC=C(C1=CC(C)C(C)C(C)=C1)c1cc(C(=C)c2cc(C(=C)c3cc(C)cc(C)c3)cc(C(=O)c3cccc(C)c3)c2)cc(C(=O)c2cccc(C)c2)c1
InChIInChI=1S/C51H48O2/c1-30-13-11-15-40(18-30)50(52)48-26-44(37(8)42-20-32(3)17-33(4)21-42)24-46(28-48)39(10)47-25-45(38(9)43-22-34(5)36(7)35(6)23-43)27-49(29-47)51(53)41-16-12-14-31(2)19-41/h11-29,34,36H,8-10H2,1-7H3
InChIKeyDVWSSIDJJUJHDB-UHFFFAOYSA-N
MW692.94 g/mol
LogP12.68
Rot. Bonds10

About [3-[1-[3-[1-(3,5-dimethylphenyl)ethenyl]-5-(3-methylbenzoyl)phenyl]ethenyl]-5-[1-(3,4,5-trimethylcyclohexa-1,5-dien-1-yl)ethenyl]phenyl]-(3-methylphenyl)methanone

[3-[1-[3-[1-(3,5-dimethylphenyl)ethenyl]-5-(3-methylbenzoyl)phenyl]ethenyl]-5-[1-(3,4,5-trimethylcyclohexa-1,5-dien-1-yl)ethenyl]phenyl]-(3-methylphenyl)methanone (PubChem CID 163534602) has the molecular formula C51H48O2 and a molecular weight of 692.94 g/mol. Its IUPAC name is [3-[1-[3-[1-(3,5-dimethylphenyl)ethenyl]-5-(3-methylbenzoyl)phenyl]ethenyl]-5-[1-(3,4,5-trimethylcyclohexa-1,5-dien-1-yl)ethenyl]phenyl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[1-[3-[1-(3,5-dimethylphenyl)ethenyl]-5-(3-methylbenzoyl)phenyl]ethenyl]-5-[1-(3,4,5-trimethylcyclohexa-1,5-dien-1-yl)ethenyl]phenyl]-(3-methylphenyl)methanone
PubChem CID163534602
Molecular FormulaC51H48O2
Molecular Weight692.94 g/mol
Exact Mass692.37
IUPAC Name[3-[1-[3-[1-(3,5-dimethylphenyl)ethenyl]-5-(3-methylbenzoyl)phenyl]ethenyl]-5-[1-(3,4,5-trimethylcyclohexa-1,5-dien-1-yl)ethenyl]phenyl]-(3-methylphenyl)methanone
SMILESC=C(C1=CC(C)C(C)C(C)=C1)c1cc(C(=C)c2cc(C(=C)c3cc(C)cc(C)c3)cc(C(=O)c3cccc(C)c3)c2)cc(C(=O)c2cccc(C)c2)c1
InChIInChI=1S/C51H48O2/c1-30-13-11-15-40(18-30)50(52)48-26-44(37(8)42-20-32(3)17-33(4)21-42)24-46(28-48)39(10)47-25-45(38(9)43-22-34(5)36(7)35(6)23-43)27-49(29-47)51(53)41-16-12-14-31(2)19-41/h11-29,34,36H,8-10H2,1-7H3
InChIKeyDVWSSIDJJUJHDB-UHFFFAOYSA-N
XLogP12.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.94
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [3-[1-[3-[1-(3,5-dimethylphenyl)ethenyl]-5-(3-methylbenzoyl)phenyl]ethenyl]-5-[1-(3,4,5-trimethylcyclohexa-1,5-dien-1-yl)ethenyl]phenyl]-(3-methylphenyl)methanone 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

bis(3-methylphenyl)methanone
CID 17848
[3-(3-methylbenzoyl)-5-[9-[3-(3-methylbenzoyl)-5-[1-(3-methylphenyl)ethenyl]phenyl]fluoren-9-yl]phenyl]-(3-methylphenyl)methanone
CID 67472775
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
bis(3,5-dimethylphenyl)methanone
CID 15640171
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
[3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone
CID 105080904
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
2-methylidene-1-(3-methylphenyl)but-3-en-1-one
CID 123630656
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990
2-(3-methylbenzoyl)oxyethyl 3-methylbenzoate
CID 23185550
4-methyl-1-(3-methylphenyl)pent-4-en-1-one
CID 114473491
(4-chloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 112694024

Frequently Asked Questions

What is the IUPAC name of [3-[1-[3-[1-(3,5-dimethylphenyl)ethenyl]-5-(3-methylbenzoyl)phenyl]ethenyl]-5-[1-(3,4,5-trimethylcyclohexa-1,5-dien-1-yl)ethenyl]phenyl]-(3-methylphenyl)methanone?
The IUPAC name of [3-[1-[3-[1-(3,5-dimethylphenyl)ethenyl]-5-(3-methylbenzoyl)phenyl]ethenyl]-5-[1-(3,4,5-trimethylcyclohexa-1,5-dien-1-yl)ethenyl]phenyl]-(3-methylphenyl)methanone (CID 163534602) is [3-[1-[3-[1-(3,5-dimethylphenyl)ethenyl]-5-(3-methylbenzoyl)phenyl]ethenyl]-5-[1-(3,4,5-trimethylcyclohexa-1,5-dien-1-yl)ethenyl]phenyl]-(3-methylphenyl)methanone.
What is the SMILES notation for [3-[1-[3-[1-(3,5-dimethylphenyl)ethenyl]-5-(3-methylbenzoyl)phenyl]ethenyl]-5-[1-(3,4,5-trimethylcyclohexa-1,5-dien-1-yl)ethenyl]phenyl]-(3-methylphenyl)methanone?
The canonical SMILES for [3-[1-[3-[1-(3,5-dimethylphenyl)ethenyl]-5-(3-methylbenzoyl)phenyl]ethenyl]-5-[1-(3,4,5-trimethylcyclohexa-1,5-dien-1-yl)ethenyl]phenyl]-(3-methylphenyl)methanone is C=C(C1=CC(C)C(C)C(C)=C1)c1cc(C(=C)c2cc(C(=C)c3cc(C)cc(C)c3)cc(C(=O)c3cccc(C)c3)c2)cc(C(=O)c2cccc(C)c2)c1.
What is the InChIKey of [3-[1-[3-[1-(3,5-dimethylphenyl)ethenyl]-5-(3-methylbenzoyl)phenyl]ethenyl]-5-[1-(3,4,5-trimethylcyclohexa-1,5-dien-1-yl)ethenyl]phenyl]-(3-methylphenyl)methanone?
The InChIKey is DVWSSIDJJUJHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H48O2/c1-30-13-11-15-40(18-30)50(52)48-26-44(37(8)42-20-32(3)17-33(4)21-42)24-46(28-48)39(10)47-25-45(38(9)43-22-34(5)36(7)35(6)23-43)27-49(29-47)51(53)41-16-12-14-31(2)19-41/h11-29,34,36H,8-10H2,1-7H3.
What are the key properties of [3-[1-[3-[1-(3,5-dimethylphenyl)ethenyl]-5-(3-methylbenzoyl)phenyl]ethenyl]-5-[1-(3,4,5-trimethylcyclohexa-1,5-dien-1-yl)ethenyl]phenyl]-(3-methylphenyl)methanone?
[3-[1-[3-[1-(3,5-dimethylphenyl)ethenyl]-5-(3-methylbenzoyl)phenyl]ethenyl]-5-[1-(3,4,5-trimethylcyclohexa-1,5-dien-1-yl)ethenyl]phenyl]-(3-methylphenyl)methanone has a molecular weight of 692.94 g/mol, XLogP of 12.68, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[3-[1-(3,5-dimethylphenyl)ethenyl]-5-(3-methylbenzoyl)phenyl]ethenyl]-5-[1-(3,4,5-trimethylcyclohexa-1,5-dien-1-yl)ethenyl]phenyl]-(3-methylphenyl)methanone is sourced from PubChem (CID 163534602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).