1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene

C94H72 — CID 159364327

IUPAC1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene
SMILESC=Cc1cc(-c2cccc3c(-c4ccc(C)c5ccccc45)cccc23)ccc1C.Cc1ccc(-c2cccc3c(-c4ccc(C)c5ccccc45)cccc23)c2ccccc12.Cc1ccc2cc(-c3cccc4c(-c5ccc6cc(C)ccc6c5)cccc34)ccc2c1
InChIInChI=1S/2C32H24.C30H24/c1-21-17-19-31(25-11-5-3-9-23(21)25)29-15-7-14-28-27(29)13-8-16-30(28)32-20-18-22(2)24-10-4-6-12-26(24)32;1-21-9-11-25-19-27(15-13-23(25)17-21)29-5-3-8-32-30(6-4-7-31(29)32)28-16-14-24-18-22(2)10-12-26(24)20-28;1-4-22-19-23(17-15-20(22)2)25-11-7-13-28-27(25)12-8-14-29(28)30-18-16-21(3)24-9-5-6-10-26(24)30/h2*3-20H,1-2H3;4-19H,1H2,2-3H3
InChIKeyLIXYJEMLMOMSTF-UHFFFAOYSA-N
MW1201.61 g/mol
LogP26.78
Rot. Bonds7

About 1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene

1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene (PubChem CID 159364327) has the molecular formula C94H72 and a molecular weight of 1201.61 g/mol. Its IUPAC name is 1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene
PubChem CID159364327
Molecular FormulaC94H72
Molecular Weight1201.61 g/mol
Exact Mass1200.56
IUPAC Name1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene
SMILESC=Cc1cc(-c2cccc3c(-c4ccc(C)c5ccccc45)cccc23)ccc1C.Cc1ccc(-c2cccc3c(-c4ccc(C)c5ccccc45)cccc23)c2ccccc12.Cc1ccc2cc(-c3cccc4c(-c5ccc6cc(C)ccc6c5)cccc34)ccc2c1
InChIInChI=1S/2C32H24.C30H24/c1-21-17-19-31(25-11-5-3-9-23(21)25)29-15-7-14-28-27(29)13-8-16-30(28)32-20-18-22(2)24-10-4-6-12-26(24)32;1-21-9-11-25-19-27(15-13-23(25)17-21)29-5-3-8-32-30(6-4-7-31(29)32)28-16-14-24-18-22(2)10-12-26(24)20-28;1-4-22-19-23(17-15-20(22)2)25-11-7-13-28-27(25)12-8-14-29(28)30-18-16-21(3)24-9-5-6-10-26(24)30/h2*3-20H,1-2H3;4-19H,1H2,2-3H3
InChIKeyLIXYJEMLMOMSTF-UHFFFAOYSA-N
XLogP26.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001201.61
LogP ≤ 526.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene 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-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169275
2-methyl-6-(4-methylnaphthalen-1-yl)anthracene
CID 123178820
2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
CID 158886123
1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 162103415
1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene
CID 123804574
9-methylphenanthrene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;2-methyl-6-phenylnaphthalene
CID 157493896
1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene
CID 160584062
1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene
CID 70994486
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(3-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;2-methyl-6-(2-methylphenyl)naphthalene;2-methyl-6-(3-methylphenyl)naphthalene;2-methyl-6-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 157271950
2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene
CID 159830422
1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161126825
1-[2,3-bis(ethenyl)-4-naphthalen-2-ylphenyl]-4-[2,3-bis(ethenyl)phenyl]-2,3-bis(ethenyl)naphthalene
CID 143856218

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene?
The IUPAC name of 1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene (CID 159364327) is 1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene.
What is the SMILES notation for 1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene?
The canonical SMILES for 1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene is C=Cc1cc(-c2cccc3c(-c4ccc(C)c5ccccc45)cccc23)ccc1C.Cc1ccc(-c2cccc3c(-c4ccc(C)c5ccccc45)cccc23)c2ccccc12.Cc1ccc2cc(-c3cccc4c(-c5ccc6cc(C)ccc6c5)cccc34)ccc2c1.
What is the InChIKey of 1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene?
The InChIKey is LIXYJEMLMOMSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H24.C30H24/c1-21-17-19-31(25-11-5-3-9-23(21)25)29-15-7-14-28-27(29)13-8-16-30(28)32-20-18-22(2)24-10-4-6-12-26(24)32;1-21-9-11-25-19-27(15-13-23(25)17-21)29-5-3-8-32-30(6-4-7-31(29)32)28-16-14-24-18-22(2)10-12-26(24)20-28;1-4-22-19-23(17-15-20(22)2)25-11-7-13-28-27(25)12-8-14-29(28)30-18-16-21(3)24-9-5-6-10-26(24)30/h2*3-20H,1-2H3;4-19H,1H2,2-3H3.
What are the key properties of 1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene?
1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene has a molecular weight of 1201.61 g/mol, XLogP of 26.78, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-methylnaphthalen-1-yl)naphthalene;1,5-bis(6-methylnaphthalen-2-yl)naphthalene;1-(3-ethenyl-4-methylphenyl)-5-(4-methylnaphthalen-1-yl)naphthalene is sourced from PubChem (CID 159364327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).