2-methylbutane;bis(1-methyl-4-phenylbenzene);1-[2-[4-(4-methylphenyl)phenyl]propyl]naphthalene;toluene

C64H68 — CID 144910618

IUPAC2-methylbutane;bis(1-methyl-4-phenylbenzene);1-[2-[4-(4-methylphenyl)phenyl]propyl]naphthalene;toluene
SMILESCCC(C)C.Cc1ccc(-c2ccc(C(C)Cc3cccc4ccccc34)cc2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccccc1
InChIInChI=1S/C26H24.2C13H12.C7H8.C5H12/c1-19-10-12-22(13-11-19)23-16-14-21(15-17-23)20(2)18-25-8-5-7-24-6-3-4-9-26(24)25;2*1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7;1-4-5(2)3/h3-17,20H,18H2,1-2H3;2*2-10H,1H3;2-6H,1H3;5H,4H2,1-3H3
InChIKeyUXOSUHAUESFPNC-UHFFFAOYSA-N
MW837.25 g/mol
LogP18.53
Rot. Bonds7

About 2-methylbutane;bis(1-methyl-4-phenylbenzene);1-[2-[4-(4-methylphenyl)phenyl]propyl]naphthalene;toluene

2-methylbutane;bis(1-methyl-4-phenylbenzene);1-[2-[4-(4-methylphenyl)phenyl]propyl]naphthalene;toluene (PubChem CID 144910618) has the molecular formula C64H68 and a molecular weight of 837.25 g/mol. Its IUPAC name is 2-methylbutane;bis(1-methyl-4-phenylbenzene);1-[2-[4-(4-methylphenyl)phenyl]propyl]naphthalene;toluene.

Molecular Properties

Compound Name2-methylbutane;bis(1-methyl-4-phenylbenzene);1-[2-[4-(4-methylphenyl)phenyl]propyl]naphthalene;toluene
PubChem CID144910618
Molecular FormulaC64H68
Molecular Weight837.25 g/mol
Exact Mass836.53
IUPAC Name2-methylbutane;bis(1-methyl-4-phenylbenzene);1-[2-[4-(4-methylphenyl)phenyl]propyl]naphthalene;toluene
SMILESCCC(C)C.Cc1ccc(-c2ccc(C(C)Cc3cccc4ccccc34)cc2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccccc1
InChIInChI=1S/C26H24.2C13H12.C7H8.C5H12/c1-19-10-12-22(13-11-19)23-16-14-21(15-17-23)20(2)18-25-8-5-7-24-6-3-4-9-26(24)25;2*1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7;1-4-5(2)3/h3-17,20H,18H2,1-2H3;2*2-10H,1H3;2-6H,1H3;5H,4H2,1-3H3
InChIKeyUXOSUHAUESFPNC-UHFFFAOYSA-N
XLogP18.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.25
LogP ≤ 518.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butan-2-yltriphenylene;ethane;1-methyl-4-(4-methylphenyl)benzene;toluene
CID 144660006
9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 58602181
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 58426696
ethane;2-methylbutane;9-phenyl-10-(4-phenylphenyl)anthracene
CID 160542444
4-butan-2-yl-1-(naphthalen-1-ylmethyl)pyridin-1-ium
CID 155629331
2-naphthalen-1-yl-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 7948833
1-methyl-4-propan-2-ylbenzene;picene
CID 173420307
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
9-[2-butan-2-yl-6-[4-(4-methylphenyl)phenyl]phenyl]-10-methylphenanthrene;2-methylbutane;toluene
CID 144920267
1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene
CID 142867953

Frequently Asked Questions

What is the IUPAC name of 2-methylbutane;bis(1-methyl-4-phenylbenzene);1-[2-[4-(4-methylphenyl)phenyl]propyl]naphthalene;toluene?
The IUPAC name of 2-methylbutane;bis(1-methyl-4-phenylbenzene);1-[2-[4-(4-methylphenyl)phenyl]propyl]naphthalene;toluene (CID 144910618) is 2-methylbutane;bis(1-methyl-4-phenylbenzene);1-[2-[4-(4-methylphenyl)phenyl]propyl]naphthalene;toluene.
What is the SMILES notation for 2-methylbutane;bis(1-methyl-4-phenylbenzene);1-[2-[4-(4-methylphenyl)phenyl]propyl]naphthalene;toluene?
The canonical SMILES for 2-methylbutane;bis(1-methyl-4-phenylbenzene);1-[2-[4-(4-methylphenyl)phenyl]propyl]naphthalene;toluene is CCC(C)C.Cc1ccc(-c2ccc(C(C)Cc3cccc4ccccc34)cc2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccccc1.
What is the InChIKey of 2-methylbutane;bis(1-methyl-4-phenylbenzene);1-[2-[4-(4-methylphenyl)phenyl]propyl]naphthalene;toluene?
The InChIKey is UXOSUHAUESFPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24.2C13H12.C7H8.C5H12/c1-19-10-12-22(13-11-19)23-16-14-21(15-17-23)20(2)18-25-8-5-7-24-6-3-4-9-26(24)25;2*1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7;1-4-5(2)3/h3-17,20H,18H2,1-2H3;2*2-10H,1H3;2-6H,1H3;5H,4H2,1-3H3.
What are the key properties of 2-methylbutane;bis(1-methyl-4-phenylbenzene);1-[2-[4-(4-methylphenyl)phenyl]propyl]naphthalene;toluene?
2-methylbutane;bis(1-methyl-4-phenylbenzene);1-[2-[4-(4-methylphenyl)phenyl]propyl]naphthalene;toluene has a molecular weight of 837.25 g/mol, XLogP of 18.53, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane;bis(1-methyl-4-phenylbenzene);1-[2-[4-(4-methylphenyl)phenyl]propyl]naphthalene;toluene is sourced from PubChem (CID 144910618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).