bis(10,10-dimethyl-9H-anthracene);1-ethenyl-4-methylbenzene;1-methyl-2,5-bis(4-methylphenyl)-4-[1-(4-methylphenyl)ethenyl]benzene

C71H70 — CID 142357191

IUPACbis(10,10-dimethyl-9H-anthracene);1-ethenyl-4-methylbenzene;1-methyl-2,5-bis(4-methylphenyl)-4-[1-(4-methylphenyl)ethenyl]benzene
SMILESC=C(c1ccc(C)cc1)c1cc(-c2ccc(C)cc2)c(C)cc1-c1ccc(C)cc1.C=Cc1ccc(C)cc1.CC1(C)c2ccccc2Cc2ccccc21.CC1(C)c2ccccc2Cc2ccccc21
InChIInChI=1S/C30H28.2C16H16.C9H10/c1-20-6-12-25(13-7-20)24(5)29-19-28(26-14-8-21(2)9-15-26)23(4)18-30(29)27-16-10-22(3)11-17-27;2*1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16;1-3-9-6-4-8(2)5-7-9/h6-19H,5H2,1-4H3;2*3-10H,11H2,1-2H3;3-7H,1H2,2H3
InChIKeyPQGUPDHOUAYUKK-UHFFFAOYSA-N
MW923.34 g/mol
LogP18.79
Rot. Bonds5

About bis(10,10-dimethyl-9H-anthracene);1-ethenyl-4-methylbenzene;1-methyl-2,5-bis(4-methylphenyl)-4-[1-(4-methylphenyl)ethenyl]benzene

bis(10,10-dimethyl-9H-anthracene);1-ethenyl-4-methylbenzene;1-methyl-2,5-bis(4-methylphenyl)-4-[1-(4-methylphenyl)ethenyl]benzene (PubChem CID 142357191) has the molecular formula C71H70 and a molecular weight of 923.34 g/mol. Its IUPAC name is bis(10,10-dimethyl-9H-anthracene);1-ethenyl-4-methylbenzene;1-methyl-2,5-bis(4-methylphenyl)-4-[1-(4-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Namebis(10,10-dimethyl-9H-anthracene);1-ethenyl-4-methylbenzene;1-methyl-2,5-bis(4-methylphenyl)-4-[1-(4-methylphenyl)ethenyl]benzene
PubChem CID142357191
Molecular FormulaC71H70
Molecular Weight923.34 g/mol
Exact Mass922.55
IUPAC Namebis(10,10-dimethyl-9H-anthracene);1-ethenyl-4-methylbenzene;1-methyl-2,5-bis(4-methylphenyl)-4-[1-(4-methylphenyl)ethenyl]benzene
SMILESC=C(c1ccc(C)cc1)c1cc(-c2ccc(C)cc2)c(C)cc1-c1ccc(C)cc1.C=Cc1ccc(C)cc1.CC1(C)c2ccccc2Cc2ccccc21.CC1(C)c2ccccc2Cc2ccccc21
InChIInChI=1S/C30H28.2C16H16.C9H10/c1-20-6-12-25(13-7-20)24(5)29-19-28(26-14-8-21(2)9-15-26)23(4)18-30(29)27-16-10-22(3)11-17-27;2*1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16;1-3-9-6-4-8(2)5-7-9/h6-19H,5H2,1-4H3;2*3-10H,11H2,1-2H3;3-7H,1H2,2H3
InChIKeyPQGUPDHOUAYUKK-UHFFFAOYSA-N
XLogP18.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.34
LogP ≤ 518.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone
CID 145320537
2-ethenyl-1-(4-methylphenyl)-3-[1-(4-methylphenyl)ethenyl]benzene
CID 143516741
10,10-dimethyl-9H-anthracene;1,1-dimethylcyclopentane;9,9-dimethylfluorene
CID 161333724
1-ethenyl-4-methylbenzene;styrene
CID 159659441
1-(4-ethenylphenyl)-4-(4-methylphenyl)benzene
CID 123748481
(1-methyl-2,3-dihydroinden-1-yl) 4-ethenylbenzoate
CID 168800146
[5-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-[4-(2,2-dimethyl-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 142369827
2-ethenyl-9,10-dihydroanthracene
CID 20739785
anthracene;1-ethenyl-4-methylbenzene
CID 174555561
3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
[2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone
CID 157350494
3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene
CID 59782340

Frequently Asked Questions

What is the IUPAC name of bis(10,10-dimethyl-9H-anthracene);1-ethenyl-4-methylbenzene;1-methyl-2,5-bis(4-methylphenyl)-4-[1-(4-methylphenyl)ethenyl]benzene?
The IUPAC name of bis(10,10-dimethyl-9H-anthracene);1-ethenyl-4-methylbenzene;1-methyl-2,5-bis(4-methylphenyl)-4-[1-(4-methylphenyl)ethenyl]benzene (CID 142357191) is bis(10,10-dimethyl-9H-anthracene);1-ethenyl-4-methylbenzene;1-methyl-2,5-bis(4-methylphenyl)-4-[1-(4-methylphenyl)ethenyl]benzene.
What is the SMILES notation for bis(10,10-dimethyl-9H-anthracene);1-ethenyl-4-methylbenzene;1-methyl-2,5-bis(4-methylphenyl)-4-[1-(4-methylphenyl)ethenyl]benzene?
The canonical SMILES for bis(10,10-dimethyl-9H-anthracene);1-ethenyl-4-methylbenzene;1-methyl-2,5-bis(4-methylphenyl)-4-[1-(4-methylphenyl)ethenyl]benzene is C=C(c1ccc(C)cc1)c1cc(-c2ccc(C)cc2)c(C)cc1-c1ccc(C)cc1.C=Cc1ccc(C)cc1.CC1(C)c2ccccc2Cc2ccccc21.CC1(C)c2ccccc2Cc2ccccc21.
What is the InChIKey of bis(10,10-dimethyl-9H-anthracene);1-ethenyl-4-methylbenzene;1-methyl-2,5-bis(4-methylphenyl)-4-[1-(4-methylphenyl)ethenyl]benzene?
The InChIKey is PQGUPDHOUAYUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28.2C16H16.C9H10/c1-20-6-12-25(13-7-20)24(5)29-19-28(26-14-8-21(2)9-15-26)23(4)18-30(29)27-16-10-22(3)11-17-27;2*1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16;1-3-9-6-4-8(2)5-7-9/h6-19H,5H2,1-4H3;2*3-10H,11H2,1-2H3;3-7H,1H2,2H3.
What are the key properties of bis(10,10-dimethyl-9H-anthracene);1-ethenyl-4-methylbenzene;1-methyl-2,5-bis(4-methylphenyl)-4-[1-(4-methylphenyl)ethenyl]benzene?
bis(10,10-dimethyl-9H-anthracene);1-ethenyl-4-methylbenzene;1-methyl-2,5-bis(4-methylphenyl)-4-[1-(4-methylphenyl)ethenyl]benzene has a molecular weight of 923.34 g/mol, XLogP of 18.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(10,10-dimethyl-9H-anthracene);1-ethenyl-4-methylbenzene;1-methyl-2,5-bis(4-methylphenyl)-4-[1-(4-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 142357191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).