1-(4,5-dimethylnaphthalen-1-yl)-4,5-dimethylnaphthalene;bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);bis(1,2,4,5-tetramethylbenzene);1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene

C104H118 — CID 161380605

IUPAC1-(4,5-dimethylnaphthalen-1-yl)-4,5-dimethylnaphthalene;bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);bis(1,2,4,5-tetramethylbenzene);1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene
SMILESCc1cc(C)c(C)cc1C.Cc1cc(C)c(C)cc1C.Cc1cc2cc(C)c(C)cc2cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(C)c2c(C)ccc(C)c12.Cc1cccc2c(-c3ccc(C)c4c(C)cccc34)ccc(C)c12
InChIInChI=1S/C24H22.2C16H18.2C14H16.2C10H14/c1-15-7-5-9-21-19(13-11-17(3)23(15)21)20-14-12-18(4)24-16(2)8-6-10-22(20)24;2*1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2;1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14;2*1-7-5-9(3)10(4)6-8(7)2/h5-14H,1-4H3;2*5-10H,1-4H3;2*5-8H,1-4H3;2*5-6H,1-4H3
InChIKeyVRRCMAXCYOIWMR-UHFFFAOYSA-N
MW1368.09 g/mol
LogP30.06
Rot. Bonds3

About 1-(4,5-dimethylnaphthalen-1-yl)-4,5-dimethylnaphthalene;bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);bis(1,2,4,5-tetramethylbenzene);1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene

1-(4,5-dimethylnaphthalen-1-yl)-4,5-dimethylnaphthalene;bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);bis(1,2,4,5-tetramethylbenzene);1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene (PubChem CID 161380605) has the molecular formula C104H118 and a molecular weight of 1368.09 g/mol. Its IUPAC name is 1-(4,5-dimethylnaphthalen-1-yl)-4,5-dimethylnaphthalene;bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);bis(1,2,4,5-tetramethylbenzene);1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene.

Molecular Properties

Compound Name1-(4,5-dimethylnaphthalen-1-yl)-4,5-dimethylnaphthalene;bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);bis(1,2,4,5-tetramethylbenzene);1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene
PubChem CID161380605
Molecular FormulaC104H118
Molecular Weight1368.09 g/mol
Exact Mass1366.92
IUPAC Name1-(4,5-dimethylnaphthalen-1-yl)-4,5-dimethylnaphthalene;bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);bis(1,2,4,5-tetramethylbenzene);1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene
SMILESCc1cc(C)c(C)cc1C.Cc1cc(C)c(C)cc1C.Cc1cc2cc(C)c(C)cc2cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(C)c2c(C)ccc(C)c12.Cc1cccc2c(-c3ccc(C)c4c(C)cccc34)ccc(C)c12
InChIInChI=1S/C24H22.2C16H18.2C14H16.2C10H14/c1-15-7-5-9-21-19(13-11-17(3)23(15)21)20-14-12-18(4)24-16(2)8-6-10-22(20)24;2*1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2;1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14;2*1-7-5-9(3)10(4)6-8(7)2/h5-14H,1-4H3;2*5-10H,1-4H3;2*5-8H,1-4H3;2*5-6H,1-4H3
InChIKeyVRRCMAXCYOIWMR-UHFFFAOYSA-N
XLogP30.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001368.09
LogP ≤ 530.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(4,5-dimethylnaphthalen-1-yl)-4,5-dimethylnaphthalene;bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);bis(1,2,4,5-tetramethylbenzene);1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene with MolForge

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Related Compounds

1-(2,3-dimethylphenyl)-2,3-dimethylbenzene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene
CID 162003142
4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene
CID 159618631
propane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;tetrakis(1,2-xylene)
CID 159444581
1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;bis(1-(3,4-dimethylphenyl)-2,4-dimethylbenzene);4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,3,5,7-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene
CID 158600639
9,10-bis(3,4-dimethylphenyl)anthracene;1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,3,4-tetramethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethyl-9,10-diphenylanthracene;1,2,5,6-tetramethylnaphthalene;1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene;2,3,8,9-tetramethylperylene;3,4,9,10-tetramethylperylene
CID 158936790
1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene
CID 143079541
1-(2-methyl-4-naphthalen-1-ylphenyl)naphthalene
CID 145377660
butane;ethane;propane;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene;bis(1,2-xylene)
CID 157062114
1,4-dimethyl-5-(trideuteriomethyl)naphthalene
CID 101091330
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
2,4-dimethyl-1-(2-methylphenyl)benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,3,4,5,8-hexamethylnaphthalene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylnaphthalene;1,3,5,7-tetramethylnaphthalene
CID 161322803
3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene
CID 123260032

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylnaphthalen-1-yl)-4,5-dimethylnaphthalene;bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);bis(1,2,4,5-tetramethylbenzene);1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene?
The IUPAC name of 1-(4,5-dimethylnaphthalen-1-yl)-4,5-dimethylnaphthalene;bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);bis(1,2,4,5-tetramethylbenzene);1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene (CID 161380605) is 1-(4,5-dimethylnaphthalen-1-yl)-4,5-dimethylnaphthalene;bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);bis(1,2,4,5-tetramethylbenzene);1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene.
What is the SMILES notation for 1-(4,5-dimethylnaphthalen-1-yl)-4,5-dimethylnaphthalene;bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);bis(1,2,4,5-tetramethylbenzene);1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene?
The canonical SMILES for 1-(4,5-dimethylnaphthalen-1-yl)-4,5-dimethylnaphthalene;bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);bis(1,2,4,5-tetramethylbenzene);1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene is Cc1cc(C)c(C)cc1C.Cc1cc(C)c(C)cc1C.Cc1cc2cc(C)c(C)cc2cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(C)c2c(C)ccc(C)c12.Cc1cccc2c(-c3ccc(C)c4c(C)cccc34)ccc(C)c12.
What is the InChIKey of 1-(4,5-dimethylnaphthalen-1-yl)-4,5-dimethylnaphthalene;bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);bis(1,2,4,5-tetramethylbenzene);1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene?
The InChIKey is VRRCMAXCYOIWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22.2C16H18.2C14H16.2C10H14/c1-15-7-5-9-21-19(13-11-17(3)23(15)21)20-14-12-18(4)24-16(2)8-6-10-22(20)24;2*1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-9-5-13-7-11(3)12(4)8-14(13)6-10(9)2;1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14;2*1-7-5-9(3)10(4)6-8(7)2/h5-14H,1-4H3;2*5-10H,1-4H3;2*5-8H,1-4H3;2*5-6H,1-4H3.
What are the key properties of 1-(4,5-dimethylnaphthalen-1-yl)-4,5-dimethylnaphthalene;bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);bis(1,2,4,5-tetramethylbenzene);1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene?
1-(4,5-dimethylnaphthalen-1-yl)-4,5-dimethylnaphthalene;bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);bis(1,2,4,5-tetramethylbenzene);1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene has a molecular weight of 1368.09 g/mol, XLogP of 30.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylnaphthalen-1-yl)-4,5-dimethylnaphthalene;bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);bis(1,2,4,5-tetramethylbenzene);1,4,5,8-tetramethylnaphthalene;2,3,6,7-tetramethylnaphthalene is sourced from PubChem (CID 161380605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).