1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene

C56H50O — CID 10700210

IUPAC1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
SMILESCCCCCCCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H50O/c1-2-3-4-5-6-10-41-57-56-39-37-55(38-40-56)54-35-33-53(34-36-54)52-31-29-51(30-32-52)50-27-25-49(26-28-50)48-23-21-47(22-24-48)46-19-17-45(18-20-46)44-15-13-43(14-16-44)42-11-8-7-9-12-42/h7-9,11-40H,2-6,10,41H2,1H3
InChIKeySVUXTBJLZAURSQ-UHFFFAOYSA-N
MW739.02 g/mol
LogP16.09
Rot. Bonds15

About 1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene

1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene (PubChem CID 10700210) has the molecular formula C56H50O and a molecular weight of 739.02 g/mol. Its IUPAC name is 1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
PubChem CID10700210
Molecular FormulaC56H50O
Molecular Weight739.02 g/mol
Exact Mass738.39
IUPAC Name1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
SMILESCCCCCCCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H50O/c1-2-3-4-5-6-10-41-57-56-39-37-55(38-40-56)54-35-33-53(34-36-54)52-31-29-51(30-32-52)50-27-25-49(26-28-50)48-23-21-47(22-24-48)46-19-17-45(18-20-46)44-15-13-43(14-16-44)42-11-8-7-9-12-42/h7-9,11-40H,2-6,10,41H2,1H3
InChIKeySVUXTBJLZAURSQ-UHFFFAOYSA-N
XLogP16.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.02
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pentoxy-4-phenylbenzene
CID 7021155
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
pentoxybenzene;undecane
CID 174778179
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-[(6S)-6-methyldecoxy]-4-phenylbenzene
CID 54076059
(4-phenylphenyl) 4-nonoxybenzoate
CID 71386628
4-heptoxy-N-[(4-phenylphenyl)methyl]aniline
CID 54799378
1,4-dipentoxybenzene
CID 18314717

Frequently Asked Questions

What is the IUPAC name of 1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene?
The IUPAC name of 1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene (CID 10700210) is 1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene.
What is the SMILES notation for 1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene?
The canonical SMILES for 1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene is CCCCCCCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene?
The InChIKey is SVUXTBJLZAURSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50O/c1-2-3-4-5-6-10-41-57-56-39-37-55(38-40-56)54-35-33-53(34-36-54)52-31-29-51(30-32-52)50-27-25-49(26-28-50)48-23-21-47(22-24-48)46-19-17-45(18-20-46)44-15-13-43(14-16-44)42-11-8-7-9-12-42/h7-9,11-40H,2-6,10,41H2,1H3.
What are the key properties of 1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene?
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene has a molecular weight of 739.02 g/mol, XLogP of 16.09, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene is sourced from PubChem (CID 10700210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).