1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene

C56H58 — CID 158517315

IUPAC1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene
SMILESCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(CCCC)cc7)c(CCC)c6)cc5)cc4)cc3)cc2CCC)cc1
InChIInChI=1S/C56H58/c1-5-9-13-41-15-19-49(20-16-41)55-37-35-51(39-53(55)11-7-3)47-31-27-45(28-32-47)43-23-25-44(26-24-43)46-29-33-48(34-30-46)52-36-38-56(54(40-52)12-8-4)50-21-17-42(18-22-50)14-10-6-2/h15-40H,5-14H2,1-4H3
InChIKeyHANTXHAQYNFWBR-UHFFFAOYSA-N
MW731.08 g/mol
LogP16.28
Rot. Bonds16

About 1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene

1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene (PubChem CID 158517315) has the molecular formula C56H58 and a molecular weight of 731.08 g/mol. Its IUPAC name is 1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene.

Molecular Properties

Compound Name1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene
PubChem CID158517315
Molecular FormulaC56H58
Molecular Weight731.08 g/mol
Exact Mass730.45
IUPAC Name1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene
SMILESCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(CCCC)cc7)c(CCC)c6)cc5)cc4)cc3)cc2CCC)cc1
InChIInChI=1S/C56H58/c1-5-9-13-41-15-19-49(20-16-41)55-37-35-51(39-53(55)11-7-3)47-31-27-45(28-32-47)43-23-25-44(26-24-43)46-29-33-48(34-30-46)52-36-38-56(54(40-52)12-8-4)50-21-17-42(18-22-50)14-10-6-2/h15-40H,5-14H2,1-4H3
InChIKeyHANTXHAQYNFWBR-UHFFFAOYSA-N
XLogP16.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.08
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]-2-propylbenzene
CID 123979323
4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene
CID 159588973
2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 142281639
4-[4-(4-butylphenyl)-3-methylphenyl]phenol
CID 71093934
3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol
CID 139457480
1-bromo-4-(4-bromophenyl)benzene;1-(4-butylphenyl)-4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]-2-propylbenzene;2-[4-(4-butylphenyl)-3-propylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane
CID 162054691
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973
1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene
CID 67950330
1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 167612803
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
2-[4-[2-ethyl-4-(4-hexylphenyl)phenyl]phenoxy]ethanol
CID 163793056

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene?
The IUPAC name of 1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene (CID 158517315) is 1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene.
What is the SMILES notation for 1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene?
The canonical SMILES for 1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene is CCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(CCCC)cc7)c(CCC)c6)cc5)cc4)cc3)cc2CCC)cc1.
What is the InChIKey of 1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene?
The InChIKey is HANTXHAQYNFWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H58/c1-5-9-13-41-15-19-49(20-16-41)55-37-35-51(39-53(55)11-7-3)47-31-27-45(28-32-47)43-23-25-44(26-24-43)46-29-33-48(34-30-46)52-36-38-56(54(40-52)12-8-4)50-21-17-42(18-22-50)14-10-6-2/h15-40H,5-14H2,1-4H3.
What are the key properties of 1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene?
1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene has a molecular weight of 731.08 g/mol, XLogP of 16.28, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene is sourced from PubChem (CID 158517315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).