4-[2-[5-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]phenyl]ethenyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole

C76H74F12N4O4 — CID 101384089

IUPAC4-[2-[5-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]phenyl]ethenyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCCCCC(CC)COc1cc(/C=C/c2ccc3c(c2)c(C2=C(c4nc(-c5ccccc5)oc4C)C(F)(F)C(F)(F)C2(F)F)c(C)n3C)c(OCC(CC)CCCC)cc1/C=C/c1ccc2c(c1)c(C1=C(c3nc(-c4ccccc4)oc3C)C(F)(F)C(F)(F)C1(F)F)c(C)n2C
InChIInChI=1S/C76H74F12N4O4/c1-11-15-23-47(13-3)41-93-59-39-54(34-30-50-32-36-58-56(38-50)62(44(6)92(58)10)64-66(74(83,84)76(87,88)72(64,79)80)68-46(8)96-70(90-68)52-27-21-18-22-28-52)60(94-42-48(14-4)24-16-12-2)40-53(59)33-29-49-31-35-57-55(37-49)61(43(5)91(57)9)63-65(73(81,82)75(85,86)71(63,77)78)67-45(7)95-69(89-67)51-25-19-17-20-26-51/h17-22,25-40,47-48H,11-16,23-24,41-42H2,1-10H3/b33-29+,34-30+
InChIKeyAVCAGQNNIPKSFY-BNRZXNFUSA-N
MW1335.43 g/mol
LogP22.41
Rot. Bonds24

About 4-[2-[5-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]phenyl]ethenyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole

4-[2-[5-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]phenyl]ethenyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole (PubChem CID 101384089) has the molecular formula C76H74F12N4O4 and a molecular weight of 1335.43 g/mol. Its IUPAC name is 4-[2-[5-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]phenyl]ethenyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[2-[5-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]phenyl]ethenyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole
PubChem CID101384089
Molecular FormulaC76H74F12N4O4
Molecular Weight1335.43 g/mol
Exact Mass1334.55
IUPAC Name4-[2-[5-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]phenyl]ethenyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCCCCC(CC)COc1cc(/C=C/c2ccc3c(c2)c(C2=C(c4nc(-c5ccccc5)oc4C)C(F)(F)C(F)(F)C2(F)F)c(C)n3C)c(OCC(CC)CCCC)cc1/C=C/c1ccc2c(c1)c(C1=C(c3nc(-c4ccccc4)oc3C)C(F)(F)C(F)(F)C1(F)F)c(C)n2C
InChIInChI=1S/C76H74F12N4O4/c1-11-15-23-47(13-3)41-93-59-39-54(34-30-50-32-36-58-56(38-50)62(44(6)92(58)10)64-66(74(83,84)76(87,88)72(64,79)80)68-46(8)96-70(90-68)52-27-21-18-22-28-52)60(94-42-48(14-4)24-16-12-2)40-53(59)33-29-49-31-35-57-55(37-49)61(43(5)91(57)9)63-65(73(81,82)75(85,86)71(63,77)78)67-45(7)95-69(89-67)51-25-19-17-20-26-51/h17-22,25-40,47-48H,11-16,23-24,41-42H2,1-10H3/b33-29+,34-30+
InChIKeyAVCAGQNNIPKSFY-BNRZXNFUSA-N
XLogP22.41
TPSA80.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001335.43
LogP ≤ 522.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[2-[5-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]phenyl]ethenyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole with MolForge

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Related Compounds

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2-(4-Fluorophenyl)-6-[3-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazole
CID 19759992
2-[4-[4-[6-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-benzoxazol-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole
CID 57957973
5-[2-[4-[4-[6-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-benzoxazol-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-5-yl]-2-methyl-1,3-benzoxazole
CID 57959116
2-[9,10-Dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole
CID 58028242
2-[4,8-Dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole
CID 58028247
2-[4-[4-[1,3-Dioxo-5-[4-[5-[1,1,1-trifluoro-2-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]propan-2-yl]-7,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]isoindol-2-yl]phenoxy]phenyl]-5-methylisoindole-1,3-dione
CID 58193407
2-Methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-benzoxazol-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole
CID 58443984
2-Methyl-5-[2-[4-[4-[6-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1-benzofuran-6-yl]propan-2-yl]-1,3-benzoxazol-2-yl]phenyl]phenyl]-1,3-benzoxazol-5-yl]-1,3-benzoxazole
CID 58554697
2-[4-(4-Carbazol-9-ylphenyl)phenyl]-6-fluoro-1,3-benzoxazole
CID 59228031
2-[4-(4-Carbazol-9-ylphenyl)phenyl]-5-fluoro-1,3-benzoxazole
CID 59228062
5-Fluoro-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 59228084

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]phenyl]ethenyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[2-[5-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]phenyl]ethenyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole (CID 101384089) is 4-[2-[5-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]phenyl]ethenyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[2-[5-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]phenyl]ethenyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[2-[5-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]phenyl]ethenyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole is CCCCC(CC)COc1cc(/C=C/c2ccc3c(c2)c(C2=C(c4nc(-c5ccccc5)oc4C)C(F)(F)C(F)(F)C2(F)F)c(C)n3C)c(OCC(CC)CCCC)cc1/C=C/c1ccc2c(c1)c(C1=C(c3nc(-c4ccccc4)oc3C)C(F)(F)C(F)(F)C1(F)F)c(C)n2C.
What is the InChIKey of 4-[2-[5-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]phenyl]ethenyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole?
The InChIKey is AVCAGQNNIPKSFY-BNRZXNFUSA-N. The full InChI is InChI=1S/C76H74F12N4O4/c1-11-15-23-47(13-3)41-93-59-39-54(34-30-50-32-36-58-56(38-50)62(44(6)92(58)10)64-66(74(83,84)76(87,88)72(64,79)80)68-46(8)96-70(90-68)52-27-21-18-22-28-52)60(94-42-48(14-4)24-16-12-2)40-53(59)33-29-49-31-35-57-55(37-49)61(43(5)91(57)9)63-65(73(81,82)75(85,86)71(63,77)78)67-45(7)95-69(89-67)51-25-19-17-20-26-51/h17-22,25-40,47-48H,11-16,23-24,41-42H2,1-10H3/b33-29+,34-30+.
What are the key properties of 4-[2-[5-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]phenyl]ethenyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole?
4-[2-[5-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]phenyl]ethenyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole has a molecular weight of 1335.43 g/mol, XLogP of 22.41, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]phenyl]ethenyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 101384089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).