1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-dipropylbenzene

C84H130 — CID 15525159

IUPAC1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-dipropylbenzene
SMILESCCCCCCCCCCCCc1ccc(-c2c(CCC)c(CCC)c(-c3ccc(CCCCCCCCCCCC)cc3)c(-c3ccc(CCCCCCCCCCCC)cc3)c2-c2ccc(CCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C84H130/c1-7-13-17-21-25-29-33-37-41-45-51-71-55-63-75(64-56-71)81-79(49-11-5)80(50-12-6)82(76-65-57-72(58-66-76)52-46-42-38-34-30-26-22-18-14-8-2)84(78-69-61-74(62-70-78)54-48-44-40-36-32-28-24-20-16-10-4)83(81)77-67-59-73(60-68-77)53-47-43-39-35-31-27-23-19-15-9-3/h55-70H,7-54H2,1-6H3
InChIKeyLGOAXRQVWVOXNO-UHFFFAOYSA-N
MW1139.96 g/mol
LogP28.11
Rot. Bonds52

About 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-dipropylbenzene

1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-dipropylbenzene (PubChem CID 15525159) has the molecular formula C84H130 and a molecular weight of 1139.96 g/mol. Its IUPAC name is 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-dipropylbenzene.

Molecular Properties

Compound Name1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-dipropylbenzene
PubChem CID15525159
Molecular FormulaC84H130
Molecular Weight1139.96 g/mol
Exact Mass1139.02
IUPAC Name1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-dipropylbenzene
SMILESCCCCCCCCCCCCc1ccc(-c2c(CCC)c(CCC)c(-c3ccc(CCCCCCCCCCCC)cc3)c(-c3ccc(CCCCCCCCCCCC)cc3)c2-c2ccc(CCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C84H130/c1-7-13-17-21-25-29-33-37-41-45-51-71-55-63-75(64-56-71)81-79(49-11-5)80(50-12-6)82(76-65-57-72(58-66-76)52-46-42-38-34-30-26-22-18-14-8-2)84(78-69-61-74(62-70-78)54-48-44-40-36-32-28-24-20-16-10-4)83(81)77-67-59-73(60-68-77)53-47-43-39-35-31-27-23-19-15-9-3/h55-70H,7-54H2,1-6H3
InChIKeyLGOAXRQVWVOXNO-UHFFFAOYSA-N
XLogP28.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds52
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001139.96
LogP ≤ 528.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-dipropylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-butyl-4-nonylbenzene
CID 59545302
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
1-methyl-4-octylbenzene
CID 11052746
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
1-pentadecyl-4-phenylbenzene
CID 57166115
1-ethyl-4-octacosylbenzene
CID 175218304
1-(chloromethyl)-4-(4-nonylphenyl)benzene
CID 21284608
4-(4-octadecylphenyl)benzenethiol
CID 134936183
4-hexyl-N-[4-[4-(4-hexylanilino)phenyl]phenyl]aniline
CID 102049508

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-dipropylbenzene?
The IUPAC name of 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-dipropylbenzene (CID 15525159) is 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-dipropylbenzene.
What is the SMILES notation for 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-dipropylbenzene?
The canonical SMILES for 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-dipropylbenzene is CCCCCCCCCCCCc1ccc(-c2c(CCC)c(CCC)c(-c3ccc(CCCCCCCCCCCC)cc3)c(-c3ccc(CCCCCCCCCCCC)cc3)c2-c2ccc(CCCCCCCCCCCC)cc2)cc1.
What is the InChIKey of 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-dipropylbenzene?
The InChIKey is LGOAXRQVWVOXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H130/c1-7-13-17-21-25-29-33-37-41-45-51-71-55-63-75(64-56-71)81-79(49-11-5)80(50-12-6)82(76-65-57-72(58-66-76)52-46-42-38-34-30-26-22-18-14-8-2)84(78-69-61-74(62-70-78)54-48-44-40-36-32-28-24-20-16-10-4)83(81)77-67-59-73(60-68-77)53-47-43-39-35-31-27-23-19-15-9-3/h55-70H,7-54H2,1-6H3.
What are the key properties of 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-dipropylbenzene?
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-dipropylbenzene has a molecular weight of 1139.96 g/mol, XLogP of 28.11, 52 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-dipropylbenzene is sourced from PubChem (CID 15525159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).