2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)aniline;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene

C99H101NOS — CID 161231470

IUPAC2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)aniline;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
SMILESCc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(/C=C/c2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Nc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc2ccc(C)cc2c1
InChIInChI=1S/C16H16.C15H16.C14H15N.C14H14O.C14H14S.C14H14.C12H12/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;3*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3-12H,1-2H3;3-10H,11H2,1-2H3;3-10,15H,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3/b12-11+;;;;;;
InChIKeyUYUOPVWFUFUWDS-WOEVDWSHSA-N
MW1352.97 g/mol
LogP28.39
Rot. Bonds11

About 2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)aniline;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene

2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)aniline;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene (PubChem CID 161231470) has the molecular formula C99H101NOS and a molecular weight of 1352.97 g/mol. Its IUPAC name is 2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)aniline;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)aniline;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
PubChem CID161231470
Molecular FormulaC99H101NOS
Molecular Weight1352.97 g/mol
Exact Mass1351.76
IUPAC Name2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)aniline;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
SMILESCc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(/C=C/c2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Nc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc2ccc(C)cc2c1
InChIInChI=1S/C16H16.C15H16.C14H15N.C14H14O.C14H14S.C14H14.C12H12/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;3*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3-12H,1-2H3;3-10H,11H2,1-2H3;3-10,15H,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3/b12-11+;;;;;;
InChIKeyUYUOPVWFUFUWDS-WOEVDWSHSA-N
XLogP28.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001352.97
LogP ≤ 528.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)aniline;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene with MolForge

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Related Compounds

carbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium
CID 160988336
2-methyl-6-[2-[4-[4-[2-(6-methylnaphthalen-2-yl)ethenyl]phenoxy]phenyl]ethenyl]naphthalene
CID 72543287
2,6-dimethylnaphthalene;ethane;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-phenylbenzene;propane;1,3-xylene;bis(1,4-xylene)
CID 158023236
2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]sulfanylnaphthalene
CID 72543299
4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline
CID 101414938
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
2-[2-(4-methylphenyl)ethenyl]-6-[6-[2-(4-methylphenyl)ethenyl]naphthalen-2-yl]oxynaphthalene
CID 72543334
methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)
CID 157430055
1-N,1-N-diphenyl-4-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-(N-phenylanilino)phenyl]sulfanylphenyl]benzene-1,4-diamine;4-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,1-N-bis(4-methylphenyl)-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine;4-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-N-phenylbenzene-1,4-diamine
CID 159390936
2-methyl-7-[(E)-2-(7-methylnaphthalen-2-yl)ethenyl]naphthalene
CID 6109061
2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene
CID 134556504
2,6-bis[(4-methylphenyl)methyl]naphthalene
CID 58774647

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)aniline;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene?
The IUPAC name of 2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)aniline;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene (CID 161231470) is 2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)aniline;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene.
What is the SMILES notation for 2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)aniline;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene?
The canonical SMILES for 2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)aniline;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene is Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(/C=C/c2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Nc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1ccc2ccc(C)cc2c1.
What is the InChIKey of 2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)aniline;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene?
The InChIKey is UYUOPVWFUFUWDS-WOEVDWSHSA-N. The full InChI is InChI=1S/C16H16.C15H16.C14H15N.C14H14O.C14H14S.C14H14.C12H12/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;3*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3-12H,1-2H3;3-10H,11H2,1-2H3;3-10,15H,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3;3-8H,1-2H3/b12-11+;;;;;;.
What are the key properties of 2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)aniline;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene?
2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)aniline;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene has a molecular weight of 1352.97 g/mol, XLogP of 28.39, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenoxy)benzene;4-methyl-N-(4-methylphenyl)aniline;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene is sourced from PubChem (CID 161231470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).