1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene

C62H70 — CID 141240736

IUPAC1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
SMILESCCCCCCCCCCc1ccc(CCCCCCCCCC)c(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)c1
InChIInChI=1S/C62H70/c1-3-5-7-9-11-13-15-18-22-49-26-27-60(25-19-16-14-12-10-8-6-4-2)62(48-49)61-46-44-59(45-47-61)58-42-40-57(41-43-58)56-38-36-55(37-39-56)54-34-32-53(33-35-54)52-30-28-51(29-31-52)50-23-20-17-21-24-50/h17,20-21,23-24,26-48H,3-16,18-19,22,25H2,1-2H3
InChIKeyQEAAXLQEAUMKFX-UHFFFAOYSA-N
MW815.24 g/mol
LogP19.06
Rot. Bonds24

About 1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene

1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene (PubChem CID 141240736) has the molecular formula C62H70 and a molecular weight of 815.24 g/mol. Its IUPAC name is 1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
PubChem CID141240736
Molecular FormulaC62H70
Molecular Weight815.24 g/mol
Exact Mass814.55
IUPAC Name1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
SMILESCCCCCCCCCCc1ccc(CCCCCCCCCC)c(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)c1
InChIInChI=1S/C62H70/c1-3-5-7-9-11-13-15-18-22-49-26-27-60(25-19-16-14-12-10-8-6-4-2)62(48-49)61-46-44-59(45-47-61)58-42-40-57(41-43-58)56-38-36-55(37-39-56)54-34-32-53(33-35-54)52-30-28-51(29-31-52)50-23-20-17-21-24-50/h17,20-21,23-24,26-48H,3-16,18-19,22,25H2,1-2H3
InChIKeyQEAAXLQEAUMKFX-UHFFFAOYSA-N
XLogP19.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.24
LogP ≤ 519.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine
CID 101410625
1-pentadecyl-4-phenylbenzene
CID 57166115
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
4-pentyl-2-phenylphenol
CID 154147556
2-chloro-4-pentyl-1-phenylbenzene
CID 139836929
1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene
CID 169036195
2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]-3-phenylbenzene
CID 19007996
3-(2,5-dioctylphenyl)thiophene
CID 91605577
gold;1-pentyl-2-phenylbenzene
CID 174945702
4-pentyl-2-phenylbenzonitrile
CID 156772995
2-octylazulene
CID 101406191

Frequently Asked Questions

What is the IUPAC name of 1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene?
The IUPAC name of 1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene (CID 141240736) is 1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene.
What is the SMILES notation for 1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene?
The canonical SMILES for 1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene is CCCCCCCCCCc1ccc(CCCCCCCCCC)c(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)c1.
What is the InChIKey of 1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene?
The InChIKey is QEAAXLQEAUMKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H70/c1-3-5-7-9-11-13-15-18-22-49-26-27-60(25-19-16-14-12-10-8-6-4-2)62(48-49)61-46-44-59(45-47-61)58-42-40-57(41-43-58)56-38-36-55(37-39-56)54-34-32-53(33-35-54)52-30-28-51(29-31-52)50-23-20-17-21-24-50/h17,20-21,23-24,26-48H,3-16,18-19,22,25H2,1-2H3.
What are the key properties of 1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene?
1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene has a molecular weight of 815.24 g/mol, XLogP of 19.06, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene is sourced from PubChem (CID 141240736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).