1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene

C47H60 — CID 132933253

IUPAC1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene
SMILESC=CCCCCCCCCCc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(CCCCCCCCCC=C)cc2)cc1
InChIInChI=1S/C47H60/c1-3-5-7-9-11-13-15-17-21-27-41-33-37-45(38-34-41)47(43-29-23-19-24-30-43,44-31-25-20-26-32-44)46-39-35-42(36-40-46)28-22-18-16-14-12-10-8-6-4-2/h3-4,19-20,23-26,29-40H,1-2,5-18,21-22,27-28H2
InChIKeyGXNKDKJBJUZLMS-UHFFFAOYSA-N
MW625.00 g/mol
LogP13.77
Rot. Bonds24

About 1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene

1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene (PubChem CID 132933253) has the molecular formula C47H60 and a molecular weight of 625.00 g/mol. Its IUPAC name is 1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene.

Molecular Properties

Compound Name1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene
PubChem CID132933253
Molecular FormulaC47H60
Molecular Weight625.00 g/mol
Exact Mass624.47
IUPAC Name1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene
SMILESC=CCCCCCCCCCc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(CCCCCCCCCC=C)cc2)cc1
InChIInChI=1S/C47H60/c1-3-5-7-9-11-13-15-17-21-27-41-33-37-45(38-34-41)47(43-29-23-19-24-30-43,44-31-25-20-26-32-44)46-39-35-42(36-40-46)28-22-18-16-14-12-10-8-6-4-2/h3-4,19-20,23-26,29-40H,1-2,5-18,21-22,27-28H2
InChIKeyGXNKDKJBJUZLMS-UHFFFAOYSA-N
XLogP13.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.00
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

7,12-Dimethylbenz(a)anthracene
CID 6001
Fenbutatin oxide
CID 16683004
p-Terphenyl
CID 7115
Triphenylethylene
CID 6025
Rubrene
CID 68203
Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
CID 74060
Triphenylmethane
CID 10614
1,1,1-Triphenylethane
CID 78926
p-Quaterphenyl
CID 8677
Quaterphenyl
CID 14422
Tetraphenylethylene
CID 69437
Phosphonium, triphenyl(triphenylmethyl)-, chloride
CID 85420

Frequently Asked Questions

What is the IUPAC name of 1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene?
The IUPAC name of 1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene (CID 132933253) is 1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene.
What is the SMILES notation for 1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene?
The canonical SMILES for 1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene is C=CCCCCCCCCCc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(CCCCCCCCCC=C)cc2)cc1.
What is the InChIKey of 1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene?
The InChIKey is GXNKDKJBJUZLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H60/c1-3-5-7-9-11-13-15-17-21-27-41-33-37-45(38-34-41)47(43-29-23-19-24-30-43,44-31-25-20-26-32-44)46-39-35-42(36-40-46)28-22-18-16-14-12-10-8-6-4-2/h3-4,19-20,23-26,29-40H,1-2,5-18,21-22,27-28H2.
What are the key properties of 1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene?
1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene has a molecular weight of 625.00 g/mol, XLogP of 13.77, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene is sourced from PubChem (CID 132933253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).