1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene

C104H138O2 — CID 145196769

IUPAC1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
SMILESCCCCCCCCCCCCc1ccc(-c2c(-c3ccc(CCCCCCCCCCCC)cc3)c(-c3ccc(CCCCCCCCCCCC)cc3)c(-c3ccc(-c4ccc(OC)cc4)cc3)c(-c3ccc(-c4ccc(OC)cc4)cc3)c2-c2ccc(CCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C104H138O2/c1-7-11-15-19-23-27-31-35-39-43-47-83-51-59-91(60-52-83)99-100(92-61-53-84(54-62-92)48-44-40-36-32-28-24-20-16-12-8-2)102(94-65-57-86(58-66-94)50-46-42-38-34-30-26-22-18-14-10-4)104(96-73-69-88(70-74-96)90-77-81-98(106-6)82-78-90)103(95-71-67-87(68-72-95)89-75-79-97(105-5)80-76-89)101(99)93-63-55-85(56-64-93)49-45-41-37-33-29-25-21-17-13-9-3/h51-82H,7-50H2,1-6H3
InChIKeyHPJMXLHEIPDXHB-UHFFFAOYSA-N
MW1420.25 g/mol
LogP32.89
Rot. Bonds54

About 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene

1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene (PubChem CID 145196769) has the molecular formula C104H138O2 and a molecular weight of 1420.25 g/mol. Its IUPAC name is 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
PubChem CID145196769
Molecular FormulaC104H138O2
Molecular Weight1420.25 g/mol
Exact Mass1419.07
IUPAC Name1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
SMILESCCCCCCCCCCCCc1ccc(-c2c(-c3ccc(CCCCCCCCCCCC)cc3)c(-c3ccc(CCCCCCCCCCCC)cc3)c(-c3ccc(-c4ccc(OC)cc4)cc3)c(-c3ccc(-c4ccc(OC)cc4)cc3)c2-c2ccc(CCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C104H138O2/c1-7-11-15-19-23-27-31-35-39-43-47-83-51-59-91(60-52-83)99-100(92-61-53-84(54-62-92)48-44-40-36-32-28-24-20-16-12-8-2)102(94-65-57-86(58-66-94)50-46-42-38-34-30-26-22-18-14-10-4)104(96-73-69-88(70-74-96)90-77-81-98(106-6)82-78-90)103(95-71-67-87(68-72-95)89-75-79-97(105-5)80-76-89)101(99)93-63-55-85(56-64-93)49-45-41-37-33-29-25-21-17-13-9-3/h51-82H,7-50H2,1-6H3
InChIKeyHPJMXLHEIPDXHB-UHFFFAOYSA-N
XLogP32.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds54
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001420.25
LogP ≤ 532.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044
4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene
CID 126599983
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
1-(difluoromethoxy)-4-(4-heptylphenyl)benzene
CID 19436442
1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 613607
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
bis[4-(4-dodecylphenyl)phenyl] carbonate
CID 141076515
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-dipropylbenzene
CID 15525159
1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene
CID 58090333
1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene
CID 139457109
2-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]-6-pentylnaphthalene
CID 19912406

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene?
The IUPAC name of 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene (CID 145196769) is 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene.
What is the SMILES notation for 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene?
The canonical SMILES for 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene is CCCCCCCCCCCCc1ccc(-c2c(-c3ccc(CCCCCCCCCCCC)cc3)c(-c3ccc(CCCCCCCCCCCC)cc3)c(-c3ccc(-c4ccc(OC)cc4)cc3)c(-c3ccc(-c4ccc(OC)cc4)cc3)c2-c2ccc(CCCCCCCCCCCC)cc2)cc1.
What is the InChIKey of 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene?
The InChIKey is HPJMXLHEIPDXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H138O2/c1-7-11-15-19-23-27-31-35-39-43-47-83-51-59-91(60-52-83)99-100(92-61-53-84(54-62-92)48-44-40-36-32-28-24-20-16-12-8-2)102(94-65-57-86(58-66-94)50-46-42-38-34-30-26-22-18-14-10-4)104(96-73-69-88(70-74-96)90-77-81-98(106-6)82-78-90)103(95-71-67-87(68-72-95)89-75-79-97(105-5)80-76-89)101(99)93-63-55-85(56-64-93)49-45-41-37-33-29-25-21-17-13-9-3/h51-82H,7-50H2,1-6H3.
What are the key properties of 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene?
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene has a molecular weight of 1420.25 g/mol, XLogP of 32.89, 54 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene is sourced from PubChem (CID 145196769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).