1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene

C41H48 — CID 123525721

IUPAC1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene
SMILESCCCc1ccc(-c2ccc(C3CCC(C)C(C4CCCC(c5ccc(-c6ccc(C)cc6)cc5)C4)C3)cc2)cc1
InChIInChI=1S/C41H48/c1-4-6-31-12-17-33(18-13-31)35-21-25-37(26-22-35)39-16-11-30(3)41(28-39)40-8-5-7-38(27-40)36-23-19-34(20-24-36)32-14-9-29(2)10-15-32/h9-10,12-15,17-26,30,38-41H,4-8,11,16,27-28H2,1-3H3
InChIKeyWIUQIEAGBCKZQI-UHFFFAOYSA-N
MW540.84 g/mol
LogP11.78
Rot. Bonds7

About 1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene

1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene (PubChem CID 123525721) has the molecular formula C41H48 and a molecular weight of 540.84 g/mol. Its IUPAC name is 1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene
PubChem CID123525721
Molecular FormulaC41H48
Molecular Weight540.84 g/mol
Exact Mass540.38
IUPAC Name1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene
SMILESCCCc1ccc(-c2ccc(C3CCC(C)C(C4CCCC(c5ccc(-c6ccc(C)cc6)cc5)C4)C3)cc2)cc1
InChIInChI=1S/C41H48/c1-4-6-31-12-17-33(18-13-31)35-21-25-37(26-22-35)39-16-11-30(3)41(28-39)40-8-5-7-38(27-40)36-23-19-34(20-24-36)32-14-9-29(2)10-15-32/h9-10,12-15,17-26,30,38-41H,4-8,11,16,27-28H2,1-3H3
InChIKeyWIUQIEAGBCKZQI-UHFFFAOYSA-N
XLogP11.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.84
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene with MolForge

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Related Compounds

(2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 56620245
2-(4-methylcyclohexyl)-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837511
1-(3-bromocyclohexyl)-4-propylbenzene
CID 64506484
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
(4aR,6R,8aR)-2-hexyl-6-[4-(4-propylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809518
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene
CID 166999626
acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 91246286
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
(4aR,4bR,8aR)-2-(4-methylphenyl)-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 21032637
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene?
The IUPAC name of 1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene (CID 123525721) is 1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene is CCCc1ccc(-c2ccc(C3CCC(C)C(C4CCCC(c5ccc(-c6ccc(C)cc6)cc5)C4)C3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene?
The InChIKey is WIUQIEAGBCKZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48/c1-4-6-31-12-17-33(18-13-31)35-21-25-37(26-22-35)39-16-11-30(3)41(28-39)40-8-5-7-38(27-40)36-23-19-34(20-24-36)32-14-9-29(2)10-15-32/h9-10,12-15,17-26,30,38-41H,4-8,11,16,27-28H2,1-3H3.
What are the key properties of 1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene?
1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene has a molecular weight of 540.84 g/mol, XLogP of 11.78, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[3-[2-methyl-5-[4-(4-propylphenyl)phenyl]cyclohexyl]cyclohexyl]phenyl]benzene is sourced from PubChem (CID 123525721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).