4-[7-[4-(9,9-didodecyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]-9,9-didodecylfluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole

C120H142N4O — CID 90394803

IUPAC4-[7-[4-(9,9-didodecyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]-9,9-didodecylfluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cc(/C=C/c4ccc5ccccc5n4)c(-c4ccc5c(c4)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)c4cc(-c6ccc(-c7ccccc7)c7nonc67)ccc4-5)cc3/C=C/c3ccc4ccccc4n3)cc21
InChIInChI=1S/C120H142N4O/c1-5-9-13-17-21-25-29-33-37-51-81-119(82-52-38-34-30-26-22-18-14-10-6-2)111-87-95(91-55-43-41-44-56-91)67-75-105(111)107-77-69-99(89-113(107)119)109-85-97(66-74-102-72-64-94-60-48-50-62-116(94)122-102)110(86-96(109)65-73-101-71-63-93-59-47-49-61-115(93)121-101)100-70-78-108-106-76-68-98(104-80-79-103(92-57-45-42-46-58-92)117-118(104)124-125-123-117)88-112(106)120(114(108)90-100,83-53-39-35-31-27-23-19-15-11-7-3)84-54-40-36-32-28-24-20-16-12-8-4/h41-50,55-80,85-90H,5-40,51-54,81-84H2,1-4H3/b73-65+,74-66+
InChIKeyACRVGISCTHOGRE-UVJVXERNSA-N
MW1656.48 g/mol
LogP36.77
Rot. Bonds53

About 4-[7-[4-(9,9-didodecyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]-9,9-didodecylfluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole

4-[7-[4-(9,9-didodecyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]-9,9-didodecylfluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole (PubChem CID 90394803) has the molecular formula C120H142N4O and a molecular weight of 1656.48 g/mol. Its IUPAC name is 4-[7-[4-(9,9-didodecyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]-9,9-didodecylfluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-[7-[4-(9,9-didodecyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]-9,9-didodecylfluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole
PubChem CID90394803
Molecular FormulaC120H142N4O
Molecular Weight1656.48 g/mol
Exact Mass1655.12
IUPAC Name4-[7-[4-(9,9-didodecyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]-9,9-didodecylfluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cc(/C=C/c4ccc5ccccc5n4)c(-c4ccc5c(c4)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)c4cc(-c6ccc(-c7ccccc7)c7nonc67)ccc4-5)cc3/C=C/c3ccc4ccccc4n3)cc21
InChIInChI=1S/C120H142N4O/c1-5-9-13-17-21-25-29-33-37-51-81-119(82-52-38-34-30-26-22-18-14-10-6-2)111-87-95(91-55-43-41-44-56-91)67-75-105(111)107-77-69-99(89-113(107)119)109-85-97(66-74-102-72-64-94-60-48-50-62-116(94)122-102)110(86-96(109)65-73-101-71-63-93-59-47-49-61-115(93)121-101)100-70-78-108-106-76-68-98(104-80-79-103(92-57-45-42-46-58-92)117-118(104)124-125-123-117)88-112(106)120(114(108)90-100,83-53-39-35-31-27-23-19-15-11-7-3)84-54-40-36-32-28-24-20-16-12-8-4/h41-50,55-80,85-90H,5-40,51-54,81-84H2,1-4H3/b73-65+,74-66+
InChIKeyACRVGISCTHOGRE-UVJVXERNSA-N
XLogP36.77
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds53
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001656.48
LogP ≤ 536.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[7-[4-(9,9-didodecyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]-9,9-didodecylfluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole 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

4-[9,9-didecyl-7-[4-(9,9-didecyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]fluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole
CID 90394796
2-[(E)-2-[2-[7-(9,9-didodecyl-7-phenylfluoren-2-yl)-9,9-didodecylfluoren-2-yl]-5-phenyl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline
CID 90394829
2-[(E)-2-[2-[9,9-dibutyl-7-(9-hexyl-9-pentyl-7-phenylfluoren-2-yl)fluoren-2-yl]-5-phenyl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline
CID 90394830
4-[7-[4-[7-(9,9-dioctyl-7-phenylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-2,5-bis[(E)-2-thiophen-2-ylethenyl]phenyl]-9,9-dioctylfluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole
CID 90394854
2-[(E)-2-[2-(9,9-didecyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[2-(9,9-didodecyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[2-(9,9-dihexyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[2-(9,9-dioctyl-7-propan-2-ylfluoren-2-yl)-5-propan-2-yl-4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]quinoline
CID 159023356
4-[7-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]-9,9-dimethylfluoren-2-yl]-7-phenyl-2,1,3-benzothiadiazole
CID 135192870
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2-[4-[9,9-dihexyl-7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 101441891
2,6-bis(9,9-dihexylfluoren-2-yl)-4,8-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 132594992
[4-[7-[4-[9,9-dioctyl-7-(4-triphenylsilylphenyl)fluoren-2-yl]-2,1,3-benzothiadiazol-7-yl]-9,9-dioctylfluoren-2-yl]phenyl]-triphenylsilane
CID 168726795
2,7-dibromo-9,9-dioctylfluorene;9,9-dioctyl-2,7-diphenylfluorene;(9,9-dioctyl-7-trimethylstannylfluoren-2-yl)-trimethylstannane
CID 158576273

Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-(9,9-didodecyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]-9,9-didodecylfluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole?
The IUPAC name of 4-[7-[4-(9,9-didodecyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]-9,9-didodecylfluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole (CID 90394803) is 4-[7-[4-(9,9-didodecyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]-9,9-didodecylfluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-[7-[4-(9,9-didodecyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]-9,9-didodecylfluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole?
The canonical SMILES for 4-[7-[4-(9,9-didodecyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]-9,9-didodecylfluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole is CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cc(/C=C/c4ccc5ccccc5n4)c(-c4ccc5c(c4)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)c4cc(-c6ccc(-c7ccccc7)c7nonc67)ccc4-5)cc3/C=C/c3ccc4ccccc4n3)cc21.
What is the InChIKey of 4-[7-[4-(9,9-didodecyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]-9,9-didodecylfluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole?
The InChIKey is ACRVGISCTHOGRE-UVJVXERNSA-N. The full InChI is InChI=1S/C120H142N4O/c1-5-9-13-17-21-25-29-33-37-51-81-119(82-52-38-34-30-26-22-18-14-10-6-2)111-87-95(91-55-43-41-44-56-91)67-75-105(111)107-77-69-99(89-113(107)119)109-85-97(66-74-102-72-64-94-60-48-50-62-116(94)122-102)110(86-96(109)65-73-101-71-63-93-59-47-49-61-115(93)121-101)100-70-78-108-106-76-68-98(104-80-79-103(92-57-45-42-46-58-92)117-118(104)124-125-123-117)88-112(106)120(114(108)90-100,83-53-39-35-31-27-23-19-15-11-7-3)84-54-40-36-32-28-24-20-16-12-8-4/h41-50,55-80,85-90H,5-40,51-54,81-84H2,1-4H3/b73-65+,74-66+.
What are the key properties of 4-[7-[4-(9,9-didodecyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]-9,9-didodecylfluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole?
4-[7-[4-(9,9-didodecyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]-9,9-didodecylfluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole has a molecular weight of 1656.48 g/mol, XLogP of 36.77, 53 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[4-(9,9-didodecyl-7-phenylfluoren-2-yl)-2,5-bis[(E)-2-quinolin-2-ylethenyl]phenyl]-9,9-didodecylfluoren-2-yl]-7-phenyl-2,1,3-benzoxadiazole is sourced from PubChem (CID 90394803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).