2-[2-[(3'E)-3'-[(Z)-but-2-enylidene]-6',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2'-methylidenespiro[fluorene-9,1'-indene]-3-yl]-4-phenylphenyl]-5-[4-tert-butyl-2-[4-[4-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazole

C131H98F6N12O5 — CID 147046286

IUPAC2-[2-[(3'E)-3'-[(Z)-but-2-enylidene]-6',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2'-methylidenespiro[fluorene-9,1'-indene]-3-yl]-4-phenylphenyl]-5-[4-tert-butyl-2-[4-[4-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazole
SMILESC=C1/C(=C\C=C/C)c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2C12c1ccc(-c3cc(-c4ccccc4)ccc3-c3nnc(-c4ccc(C(C)(C)C)cc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(Oc7ccc(C(c8ccc(Oc9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)cc9)cc8)(C(F)(F)F)C(F)(F)F)cc7)cc6)n5)cc4)o3)cc1-c1ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc12
InChIInChI=1S/C131H98F6N12O5/c1-12-13-34-102-78(2)128(111-75-91(48-68-103(102)111)121-146-144-119(152-121)87-39-51-93(52-40-87)125(3,4)5)110-72-50-90(74-109(110)104-69-49-92(76-112(104)128)122-147-145-120(153-122)88-41-53-94(54-42-88)126(6,7)8)107-73-89(79-26-18-14-19-27-79)47-70-105(107)123-148-149-124(154-123)106-71-59-97(127(9,10)11)77-108(106)80-35-37-84(38-36-80)116-139-115(83-32-24-17-25-33-83)142-118(143-116)86-45-62-99(63-46-86)151-101-66-57-96(58-67-101)129(130(132,133)134,131(135,136)137)95-55-64-100(65-56-95)150-98-60-43-85(44-61-98)117-140-113(81-28-20-15-21-29-81)138-114(141-117)82-30-22-16-23-31-82/h12-77H,2H2,1,3-11H3/b13-12-,102-34+
InChIKeyBALCTAKJDRBMOD-PWEHZIKASA-N
MW2034.29 g/mol
LogP33.94
Rot. Bonds22

About 2-[2-[(3'E)-3'-[(Z)-but-2-enylidene]-6',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2'-methylidenespiro[fluorene-9,1'-indene]-3-yl]-4-phenylphenyl]-5-[4-tert-butyl-2-[4-[4-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazole

2-[2-[(3'E)-3'-[(Z)-but-2-enylidene]-6',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2'-methylidenespiro[fluorene-9,1'-indene]-3-yl]-4-phenylphenyl]-5-[4-tert-butyl-2-[4-[4-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazole (PubChem CID 147046286) has the molecular formula C131H98F6N12O5 and a molecular weight of 2034.29 g/mol. Its IUPAC name is 2-[2-[(3'E)-3'-[(Z)-but-2-enylidene]-6',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2'-methylidenespiro[fluorene-9,1'-indene]-3-yl]-4-phenylphenyl]-5-[4-tert-butyl-2-[4-[4-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[(3'E)-3'-[(Z)-but-2-enylidene]-6',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2'-methylidenespiro[fluorene-9,1'-indene]-3-yl]-4-phenylphenyl]-5-[4-tert-butyl-2-[4-[4-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazole
PubChem CID147046286
Molecular FormulaC131H98F6N12O5
Molecular Weight2034.29 g/mol
Exact Mass2032.77
IUPAC Name2-[2-[(3'E)-3'-[(Z)-but-2-enylidene]-6',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2'-methylidenespiro[fluorene-9,1'-indene]-3-yl]-4-phenylphenyl]-5-[4-tert-butyl-2-[4-[4-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazole
SMILESC=C1/C(=C\C=C/C)c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2C12c1ccc(-c3cc(-c4ccccc4)ccc3-c3nnc(-c4ccc(C(C)(C)C)cc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(Oc7ccc(C(c8ccc(Oc9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)cc9)cc8)(C(F)(F)F)C(F)(F)F)cc7)cc6)n5)cc4)o3)cc1-c1ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc12
InChIInChI=1S/C131H98F6N12O5/c1-12-13-34-102-78(2)128(111-75-91(48-68-103(102)111)121-146-144-119(152-121)87-39-51-93(52-40-87)125(3,4)5)110-72-50-90(74-109(110)104-69-49-92(76-112(104)128)122-147-145-120(153-122)88-41-53-94(54-42-88)126(6,7)8)107-73-89(79-26-18-14-19-27-79)47-70-105(107)123-148-149-124(154-123)106-71-59-97(127(9,10)11)77-108(106)80-35-37-84(38-36-80)116-139-115(83-32-24-17-25-33-83)142-118(143-116)86-45-62-99(63-46-86)151-101-66-57-96(58-67-101)129(130(132,133)134,131(135,136)137)95-55-64-100(65-56-95)150-98-60-43-85(44-61-98)117-140-113(81-28-20-15-21-29-81)138-114(141-117)82-30-22-16-23-31-82/h12-77H,2H2,1,3-11H3/b13-12-,102-34+
InChIKeyBALCTAKJDRBMOD-PWEHZIKASA-N
XLogP33.94
TPSA212.56 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002034.29
LogP ≤ 533.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-[2-[(3'E)-3'-[(Z)-but-2-enylidene]-6',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2'-methylidenespiro[fluorene-9,1'-indene]-3-yl]-4-phenylphenyl]-5-[4-tert-butyl-2-[4-[4-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[3-[4-(4-tert-butylphenyl)phenyl]-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylphenyl)phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 20801992
2-(2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153287761
[4-[4-[4-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
CID 177088328
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 134271804
[4-[4-[3-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
CID 177087811
2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole
CID 159048422
trimethyl-[4-[4-phenyl-6-[3-[3-(2',7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 177088032
[4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-trimethylsilane
CID 177088237
2-[7-[4-(1-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 163472098
2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;dichloromethane
CID 139089806
2,5-bis[3,5-bis(2-phenylphenyl)phenyl]furan;2,5-bis[4-[3,5-bis(2-phenylphenyl)phenyl]phenyl]-1,3,4-oxadiazole;phenyl-[4-(2-phenylphenyl)phenyl]silane;2,2',7,7'-tetrakis(2-phenylphenyl)-9,9'-spirobi[fluorene];2,4,6-tris[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 157312748
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3'E)-3'-[(Z)-but-2-enylidene]-6',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2'-methylidenespiro[fluorene-9,1'-indene]-3-yl]-4-phenylphenyl]-5-[4-tert-butyl-2-[4-[4-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[(3'E)-3'-[(Z)-but-2-enylidene]-6',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2'-methylidenespiro[fluorene-9,1'-indene]-3-yl]-4-phenylphenyl]-5-[4-tert-butyl-2-[4-[4-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazole (CID 147046286) is 2-[2-[(3'E)-3'-[(Z)-but-2-enylidene]-6',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2'-methylidenespiro[fluorene-9,1'-indene]-3-yl]-4-phenylphenyl]-5-[4-tert-butyl-2-[4-[4-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[(3'E)-3'-[(Z)-but-2-enylidene]-6',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2'-methylidenespiro[fluorene-9,1'-indene]-3-yl]-4-phenylphenyl]-5-[4-tert-butyl-2-[4-[4-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[(3'E)-3'-[(Z)-but-2-enylidene]-6',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2'-methylidenespiro[fluorene-9,1'-indene]-3-yl]-4-phenylphenyl]-5-[4-tert-butyl-2-[4-[4-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazole is C=C1/C(=C\C=C/C)c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2C12c1ccc(-c3cc(-c4ccccc4)ccc3-c3nnc(-c4ccc(C(C)(C)C)cc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(Oc7ccc(C(c8ccc(Oc9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)cc9)cc8)(C(F)(F)F)C(F)(F)F)cc7)cc6)n5)cc4)o3)cc1-c1ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc12.
What is the InChIKey of 2-[2-[(3'E)-3'-[(Z)-but-2-enylidene]-6',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2'-methylidenespiro[fluorene-9,1'-indene]-3-yl]-4-phenylphenyl]-5-[4-tert-butyl-2-[4-[4-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is BALCTAKJDRBMOD-PWEHZIKASA-N. The full InChI is InChI=1S/C131H98F6N12O5/c1-12-13-34-102-78(2)128(111-75-91(48-68-103(102)111)121-146-144-119(152-121)87-39-51-93(52-40-87)125(3,4)5)110-72-50-90(74-109(110)104-69-49-92(76-112(104)128)122-147-145-120(153-122)88-41-53-94(54-42-88)126(6,7)8)107-73-89(79-26-18-14-19-27-79)47-70-105(107)123-148-149-124(154-123)106-71-59-97(127(9,10)11)77-108(106)80-35-37-84(38-36-80)116-139-115(83-32-24-17-25-33-83)142-118(143-116)86-45-62-99(63-46-86)151-101-66-57-96(58-67-101)129(130(132,133)134,131(135,136)137)95-55-64-100(65-56-95)150-98-60-43-85(44-61-98)117-140-113(81-28-20-15-21-29-81)138-114(141-117)82-30-22-16-23-31-82/h12-77H,2H2,1,3-11H3/b13-12-,102-34+.
What are the key properties of 2-[2-[(3'E)-3'-[(Z)-but-2-enylidene]-6',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2'-methylidenespiro[fluorene-9,1'-indene]-3-yl]-4-phenylphenyl]-5-[4-tert-butyl-2-[4-[4-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazole?
2-[2-[(3'E)-3'-[(Z)-but-2-enylidene]-6',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2'-methylidenespiro[fluorene-9,1'-indene]-3-yl]-4-phenylphenyl]-5-[4-tert-butyl-2-[4-[4-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 2034.29 g/mol, XLogP of 33.94, 22 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3'E)-3'-[(Z)-but-2-enylidene]-6',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2'-methylidenespiro[fluorene-9,1'-indene]-3-yl]-4-phenylphenyl]-5-[4-tert-butyl-2-[4-[4-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 147046286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).