[4-(3,4-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[4-(3,5-dimethylbenzoyl)phenyl]-(2-methylphenyl)methanone;bis([4-(3,5-dimethylbenzoyl)phenyl]-(3-methylphenyl)methanone);[4-(3,5-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[2,3-dimethyl-4-(4-methylbenzoyl)phenyl]-phenylmethanone;1,2-dimethyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis((3,4-dimethylphenyl)-[4-(3-methylbenzoyl)phenyl]methanone);bis(2,3,5-trimethylpyrazine);2,3,4-trimethylthiophene;2,3,5-trimethylthiophene

C242H230N4O18S2 — CID 161325997

IUPAC[4-(3,4-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[4-(3,5-dimethylbenzoyl)phenyl]-(2-methylphenyl)methanone;bis([4-(3,5-dimethylbenzoyl)phenyl]-(3-methylphenyl)methanone);[4-(3,5-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[2,3-dimethyl-4-(4-methylbenzoyl)phenyl]-phenylmethanone;1,2-dimethyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis((3,4-dimethylphenyl)-[4-(3-methylbenzoyl)phenyl]methanone);bis(2,3,5-trimethylpyrazine);2,3,4-trimethylthiophene;2,3,5-trimethylthiophene
SMILESCc1cc(C)c(C)s1.Cc1cc(C)cc(C(=O)c2ccc(C(=O)c3ccccc3C)cc2)c1.Cc1ccc(C(=O)c2ccc(C(=O)c3cc(C)cc(C)c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(=O)c3ccc(C)c(C)c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(=O)c3ccccc3)c(C)c2C)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)c(C)c4)cc3)cc2)cc1.Cc1cccc(C(=O)c2ccc(C(=O)c3cc(C)cc(C)c3)cc2)c1.Cc1cccc(C(=O)c2ccc(C(=O)c3cc(C)cc(C)c3)cc2)c1.Cc1cccc(C(=O)c2ccc(C(=O)c3ccc(C)c(C)c3)cc2)c1.Cc1cccc(C(=O)c2ccc(C(=O)c3ccc(C)c(C)c3)cc2)c1.Cc1cnc(C)c(C)n1.Cc1cnc(C)c(C)n1.Cc1csc(C)c1C
InChIInChI=1S/C30H30O2.8C23H20O2.2C7H10N2.2C7H10S/c1-21-6-13-26(14-7-21)31-27-16-9-24(10-17-27)30(4,5)25-11-18-28(19-12-25)32-29-15-8-22(2)23(3)20-29;1-15-4-7-18(8-5-15)22(24)19-10-12-20(13-11-19)23(25)21-9-6-16(2)17(3)14-21;1-15-4-6-18(7-5-15)22(24)19-8-10-20(11-9-19)23(25)21-13-16(2)12-17(3)14-21;2*1-15-5-4-6-20(12-15)22(24)18-7-9-19(10-8-18)23(25)21-13-16(2)11-17(3)14-21;2*1-15-5-4-6-20(13-15)22(24)18-9-11-19(12-10-18)23(25)21-8-7-16(2)17(3)14-21;1-15-12-16(2)14-20(13-15)22(24)18-8-10-19(11-9-18)23(25)21-7-5-4-6-17(21)3;1-15-9-11-19(12-10-15)23(25)21-14-13-20(16(2)17(21)3)22(24)18-7-5-4-6-8-18;2*1-5-4-8-6(2)7(3)9-5;1-5-4-8-7(3)6(5)2;1-5-4-6(2)8-7(5)3/h6-20H,1-5H3;8*4-14H,1-3H3;2*4H,1-3H3;2*4H,1-3H3
InChIKeyVKTVJRYLVAZUOO-UHFFFAOYSA-N
MW3546.65 g/mol
LogP57.26
Rot. Bonds38

About [4-(3,4-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[4-(3,5-dimethylbenzoyl)phenyl]-(2-methylphenyl)methanone;bis([4-(3,5-dimethylbenzoyl)phenyl]-(3-methylphenyl)methanone);[4-(3,5-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[2,3-dimethyl-4-(4-methylbenzoyl)phenyl]-phenylmethanone;1,2-dimethyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis((3,4-dimethylphenyl)-[4-(3-methylbenzoyl)phenyl]methanone);bis(2,3,5-trimethylpyrazine);2,3,4-trimethylthiophene;2,3,5-trimethylthiophene

[4-(3,4-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[4-(3,5-dimethylbenzoyl)phenyl]-(2-methylphenyl)methanone;bis([4-(3,5-dimethylbenzoyl)phenyl]-(3-methylphenyl)methanone);[4-(3,5-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[2,3-dimethyl-4-(4-methylbenzoyl)phenyl]-phenylmethanone;1,2-dimethyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis((3,4-dimethylphenyl)-[4-(3-methylbenzoyl)phenyl]methanone);bis(2,3,5-trimethylpyrazine);2,3,4-trimethylthiophene;2,3,5-trimethylthiophene (PubChem CID 161325997) has the molecular formula C242H230N4O18S2 and a molecular weight of 3546.65 g/mol. Its IUPAC name is [4-(3,4-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[4-(3,5-dimethylbenzoyl)phenyl]-(2-methylphenyl)methanone;bis([4-(3,5-dimethylbenzoyl)phenyl]-(3-methylphenyl)methanone);[4-(3,5-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[2,3-dimethyl-4-(4-methylbenzoyl)phenyl]-phenylmethanone;1,2-dimethyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis((3,4-dimethylphenyl)-[4-(3-methylbenzoyl)phenyl]methanone);bis(2,3,5-trimethylpyrazine);2,3,4-trimethylthiophene;2,3,5-trimethylthiophene.

Molecular Properties

Compound Name[4-(3,4-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[4-(3,5-dimethylbenzoyl)phenyl]-(2-methylphenyl)methanone;bis([4-(3,5-dimethylbenzoyl)phenyl]-(3-methylphenyl)methanone);[4-(3,5-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[2,3-dimethyl-4-(4-methylbenzoyl)phenyl]-phenylmethanone;1,2-dimethyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis((3,4-dimethylphenyl)-[4-(3-methylbenzoyl)phenyl]methanone);bis(2,3,5-trimethylpyrazine);2,3,4-trimethylthiophene;2,3,5-trimethylthiophene
PubChem CID161325997
Molecular FormulaC242H230N4O18S2
Molecular Weight3546.65 g/mol
Exact Mass3543.66
IUPAC Name[4-(3,4-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[4-(3,5-dimethylbenzoyl)phenyl]-(2-methylphenyl)methanone;bis([4-(3,5-dimethylbenzoyl)phenyl]-(3-methylphenyl)methanone);[4-(3,5-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[2,3-dimethyl-4-(4-methylbenzoyl)phenyl]-phenylmethanone;1,2-dimethyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis((3,4-dimethylphenyl)-[4-(3-methylbenzoyl)phenyl]methanone);bis(2,3,5-trimethylpyrazine);2,3,4-trimethylthiophene;2,3,5-trimethylthiophene
SMILESCc1cc(C)c(C)s1.Cc1cc(C)cc(C(=O)c2ccc(C(=O)c3ccccc3C)cc2)c1.Cc1ccc(C(=O)c2ccc(C(=O)c3cc(C)cc(C)c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(=O)c3ccc(C)c(C)c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(=O)c3ccccc3)c(C)c2C)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)c(C)c4)cc3)cc2)cc1.Cc1cccc(C(=O)c2ccc(C(=O)c3cc(C)cc(C)c3)cc2)c1.Cc1cccc(C(=O)c2ccc(C(=O)c3cc(C)cc(C)c3)cc2)c1.Cc1cccc(C(=O)c2ccc(C(=O)c3ccc(C)c(C)c3)cc2)c1.Cc1cccc(C(=O)c2ccc(C(=O)c3ccc(C)c(C)c3)cc2)c1.Cc1cnc(C)c(C)n1.Cc1cnc(C)c(C)n1.Cc1csc(C)c1C
InChIInChI=1S/C30H30O2.8C23H20O2.2C7H10N2.2C7H10S/c1-21-6-13-26(14-7-21)31-27-16-9-24(10-17-27)30(4,5)25-11-18-28(19-12-25)32-29-15-8-22(2)23(3)20-29;1-15-4-7-18(8-5-15)22(24)19-10-12-20(13-11-19)23(25)21-9-6-16(2)17(3)14-21;1-15-4-6-18(7-5-15)22(24)19-8-10-20(11-9-19)23(25)21-13-16(2)12-17(3)14-21;2*1-15-5-4-6-20(12-15)22(24)18-7-9-19(10-8-18)23(25)21-13-16(2)11-17(3)14-21;2*1-15-5-4-6-20(13-15)22(24)18-9-11-19(12-10-18)23(25)21-8-7-16(2)17(3)14-21;1-15-12-16(2)14-20(13-15)22(24)18-8-10-19(11-9-18)23(25)21-7-5-4-6-17(21)3;1-15-9-11-19(12-10-15)23(25)21-14-13-20(16(2)17(21)3)22(24)18-7-5-4-6-8-18;2*1-5-4-8-6(2)7(3)9-5;1-5-4-8-7(3)6(5)2;1-5-4-6(2)8-7(5)3/h6-20H,1-5H3;8*4-14H,1-3H3;2*4H,1-3H3;2*4H,1-3H3
InChIKeyVKTVJRYLVAZUOO-UHFFFAOYSA-N
XLogP57.26
TPSA343.14 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds38
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003546.65
LogP ≤ 557.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze [4-(3,4-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[4-(3,5-dimethylbenzoyl)phenyl]-(2-methylphenyl)methanone;bis([4-(3,5-dimethylbenzoyl)phenyl]-(3-methylphenyl)methanone);[4-(3,5-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[2,3-dimethyl-4-(4-methylbenzoyl)phenyl]-phenylmethanone;1,2-dimethyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis((3,4-dimethylphenyl)-[4-(3-methylbenzoyl)phenyl]methanone);bis(2,3,5-trimethylpyrazine);2,3,4-trimethylthiophene;2,3,5-trimethylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[4-(3,5-dimethylbenzoyl)phenyl]-(2-methylphenyl)methanone;bis([4-(3,5-dimethylbenzoyl)phenyl]-(3-methylphenyl)methanone);[4-(3,5-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[2,3-dimethyl-4-(4-methylbenzoyl)phenyl]-phenylmethanone;1,2-dimethyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis((3,4-dimethylphenyl)-[4-(3-methylbenzoyl)phenyl]methanone);bis(2,3,5-trimethylpyrazine);2,3,4-trimethylthiophene;2,3,5-trimethylthiophene?
The IUPAC name of [4-(3,4-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[4-(3,5-dimethylbenzoyl)phenyl]-(2-methylphenyl)methanone;bis([4-(3,5-dimethylbenzoyl)phenyl]-(3-methylphenyl)methanone);[4-(3,5-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[2,3-dimethyl-4-(4-methylbenzoyl)phenyl]-phenylmethanone;1,2-dimethyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis((3,4-dimethylphenyl)-[4-(3-methylbenzoyl)phenyl]methanone);bis(2,3,5-trimethylpyrazine);2,3,4-trimethylthiophene;2,3,5-trimethylthiophene (CID 161325997) is [4-(3,4-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[4-(3,5-dimethylbenzoyl)phenyl]-(2-methylphenyl)methanone;bis([4-(3,5-dimethylbenzoyl)phenyl]-(3-methylphenyl)methanone);[4-(3,5-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[2,3-dimethyl-4-(4-methylbenzoyl)phenyl]-phenylmethanone;1,2-dimethyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis((3,4-dimethylphenyl)-[4-(3-methylbenzoyl)phenyl]methanone);bis(2,3,5-trimethylpyrazine);2,3,4-trimethylthiophene;2,3,5-trimethylthiophene.
What is the SMILES notation for [4-(3,4-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[4-(3,5-dimethylbenzoyl)phenyl]-(2-methylphenyl)methanone;bis([4-(3,5-dimethylbenzoyl)phenyl]-(3-methylphenyl)methanone);[4-(3,5-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[2,3-dimethyl-4-(4-methylbenzoyl)phenyl]-phenylmethanone;1,2-dimethyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis((3,4-dimethylphenyl)-[4-(3-methylbenzoyl)phenyl]methanone);bis(2,3,5-trimethylpyrazine);2,3,4-trimethylthiophene;2,3,5-trimethylthiophene?
The canonical SMILES for [4-(3,4-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[4-(3,5-dimethylbenzoyl)phenyl]-(2-methylphenyl)methanone;bis([4-(3,5-dimethylbenzoyl)phenyl]-(3-methylphenyl)methanone);[4-(3,5-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[2,3-dimethyl-4-(4-methylbenzoyl)phenyl]-phenylmethanone;1,2-dimethyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis((3,4-dimethylphenyl)-[4-(3-methylbenzoyl)phenyl]methanone);bis(2,3,5-trimethylpyrazine);2,3,4-trimethylthiophene;2,3,5-trimethylthiophene is Cc1cc(C)c(C)s1.Cc1cc(C)cc(C(=O)c2ccc(C(=O)c3ccccc3C)cc2)c1.Cc1ccc(C(=O)c2ccc(C(=O)c3cc(C)cc(C)c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(=O)c3ccc(C)c(C)c3)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(=O)c3ccccc3)c(C)c2C)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)c(C)c4)cc3)cc2)cc1.Cc1cccc(C(=O)c2ccc(C(=O)c3cc(C)cc(C)c3)cc2)c1.Cc1cccc(C(=O)c2ccc(C(=O)c3cc(C)cc(C)c3)cc2)c1.Cc1cccc(C(=O)c2ccc(C(=O)c3ccc(C)c(C)c3)cc2)c1.Cc1cccc(C(=O)c2ccc(C(=O)c3ccc(C)c(C)c3)cc2)c1.Cc1cnc(C)c(C)n1.Cc1cnc(C)c(C)n1.Cc1csc(C)c1C.
What is the InChIKey of [4-(3,4-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[4-(3,5-dimethylbenzoyl)phenyl]-(2-methylphenyl)methanone;bis([4-(3,5-dimethylbenzoyl)phenyl]-(3-methylphenyl)methanone);[4-(3,5-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[2,3-dimethyl-4-(4-methylbenzoyl)phenyl]-phenylmethanone;1,2-dimethyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis((3,4-dimethylphenyl)-[4-(3-methylbenzoyl)phenyl]methanone);bis(2,3,5-trimethylpyrazine);2,3,4-trimethylthiophene;2,3,5-trimethylthiophene?
The InChIKey is VKTVJRYLVAZUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2.8C23H20O2.2C7H10N2.2C7H10S/c1-21-6-13-26(14-7-21)31-27-16-9-24(10-17-27)30(4,5)25-11-18-28(19-12-25)32-29-15-8-22(2)23(3)20-29;1-15-4-7-18(8-5-15)22(24)19-10-12-20(13-11-19)23(25)21-9-6-16(2)17(3)14-21;1-15-4-6-18(7-5-15)22(24)19-8-10-20(11-9-19)23(25)21-13-16(2)12-17(3)14-21;2*1-15-5-4-6-20(12-15)22(24)18-7-9-19(10-8-18)23(25)21-13-16(2)11-17(3)14-21;2*1-15-5-4-6-20(13-15)22(24)18-9-11-19(12-10-18)23(25)21-8-7-16(2)17(3)14-21;1-15-12-16(2)14-20(13-15)22(24)18-8-10-19(11-9-18)23(25)21-7-5-4-6-17(21)3;1-15-9-11-19(12-10-15)23(25)21-14-13-20(16(2)17(21)3)22(24)18-7-5-4-6-8-18;2*1-5-4-8-6(2)7(3)9-5;1-5-4-8-7(3)6(5)2;1-5-4-6(2)8-7(5)3/h6-20H,1-5H3;8*4-14H,1-3H3;2*4H,1-3H3;2*4H,1-3H3.
What are the key properties of [4-(3,4-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[4-(3,5-dimethylbenzoyl)phenyl]-(2-methylphenyl)methanone;bis([4-(3,5-dimethylbenzoyl)phenyl]-(3-methylphenyl)methanone);[4-(3,5-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[2,3-dimethyl-4-(4-methylbenzoyl)phenyl]-phenylmethanone;1,2-dimethyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis((3,4-dimethylphenyl)-[4-(3-methylbenzoyl)phenyl]methanone);bis(2,3,5-trimethylpyrazine);2,3,4-trimethylthiophene;2,3,5-trimethylthiophene?
[4-(3,4-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[4-(3,5-dimethylbenzoyl)phenyl]-(2-methylphenyl)methanone;bis([4-(3,5-dimethylbenzoyl)phenyl]-(3-methylphenyl)methanone);[4-(3,5-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[2,3-dimethyl-4-(4-methylbenzoyl)phenyl]-phenylmethanone;1,2-dimethyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis((3,4-dimethylphenyl)-[4-(3-methylbenzoyl)phenyl]methanone);bis(2,3,5-trimethylpyrazine);2,3,4-trimethylthiophene;2,3,5-trimethylthiophene has a molecular weight of 3546.65 g/mol, XLogP of 57.26, 38 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[4-(3,5-dimethylbenzoyl)phenyl]-(2-methylphenyl)methanone;bis([4-(3,5-dimethylbenzoyl)phenyl]-(3-methylphenyl)methanone);[4-(3,5-dimethylbenzoyl)phenyl]-(4-methylphenyl)methanone;[2,3-dimethyl-4-(4-methylbenzoyl)phenyl]-phenylmethanone;1,2-dimethyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;bis((3,4-dimethylphenyl)-[4-(3-methylbenzoyl)phenyl]methanone);bis(2,3,5-trimethylpyrazine);2,3,4-trimethylthiophene;2,3,5-trimethylthiophene is sourced from PubChem (CID 161325997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).