3-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,9,9-trimethyl-6H-fluoren-2-yl]-10-(2-phenylphenyl)phenoxazine

C143H149NO — CID 167161120

IUPAC3-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,9,9-trimethyl-6H-fluoren-2-yl]-10-(2-phenylphenyl)phenoxazine
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)Oc7cc(-c9ccc%10c(c9)C(C)(C)C9=CC(C)(c%11ccc%12c(c%11)C(C)(C)c%11cc(-c%13ccc%14c(c%13)C(CCCCCCCC)(CCCCCCCC)c%13ccccc%13-%14)ccc%11-%12)CC=C9%10)ccc7N8c7ccccc7-c7ccccc7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C143H149NO/c1-14-18-22-26-30-43-78-142(79-44-31-27-23-19-15-2)120-52-40-37-50-108(120)117-72-61-102(89-129(117)142)98-57-68-112-110-66-55-96(83-122(110)137(5,6)124(112)85-98)97-56-67-111-113-70-59-100(87-125(113)138(7,8)123(111)84-97)104-63-75-133-135(91-104)145-136-92-105(64-76-134(136)144(133)132-54-42-39-49-107(132)95-47-35-34-36-48-95)101-60-71-115-119-77-82-141(13,94-131(119)140(11,12)127(115)88-101)106-65-74-116-114-69-58-99(86-126(114)139(9,10)128(116)93-106)103-62-73-118-109-51-38-41-53-121(109)143(130(118)90-103,80-45-32-28-24-20-16-3)81-46-33-29-25-21-17-4/h34-42,47-77,83-94H,14-33,43-46,78-82H2,1-13H3
InChIKeyRBNABQZTOCQBNJ-UHFFFAOYSA-N
MW1897.77 g/mol
LogP41.68
Rot. Bonds36

About 3-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,9,9-trimethyl-6H-fluoren-2-yl]-10-(2-phenylphenyl)phenoxazine

3-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,9,9-trimethyl-6H-fluoren-2-yl]-10-(2-phenylphenyl)phenoxazine (PubChem CID 167161120) has the molecular formula C143H149NO and a molecular weight of 1897.77 g/mol. Its IUPAC name is 3-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,9,9-trimethyl-6H-fluoren-2-yl]-10-(2-phenylphenyl)phenoxazine.

Molecular Properties

Compound Name3-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,9,9-trimethyl-6H-fluoren-2-yl]-10-(2-phenylphenyl)phenoxazine
PubChem CID167161120
Molecular FormulaC143H149NO
Molecular Weight1897.77 g/mol
Exact Mass1896.16
IUPAC Name3-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,9,9-trimethyl-6H-fluoren-2-yl]-10-(2-phenylphenyl)phenoxazine
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)Oc7cc(-c9ccc%10c(c9)C(C)(C)C9=CC(C)(c%11ccc%12c(c%11)C(C)(C)c%11cc(-c%13ccc%14c(c%13)C(CCCCCCCC)(CCCCCCCC)c%13ccccc%13-%14)ccc%11-%12)CC=C9%10)ccc7N8c7ccccc7-c7ccccc7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C143H149NO/c1-14-18-22-26-30-43-78-142(79-44-31-27-23-19-15-2)120-52-40-37-50-108(120)117-72-61-102(89-129(117)142)98-57-68-112-110-66-55-96(83-122(110)137(5,6)124(112)85-98)97-56-67-111-113-70-59-100(87-125(113)138(7,8)123(111)84-97)104-63-75-133-135(91-104)145-136-92-105(64-76-134(136)144(133)132-54-42-39-49-107(132)95-47-35-34-36-48-95)101-60-71-115-119-77-82-141(13,94-131(119)140(11,12)127(115)88-101)106-65-74-116-114-69-58-99(86-126(114)139(9,10)128(116)93-106)103-62-73-118-109-51-38-41-53-121(109)143(130(118)90-103,80-45-32-28-24-20-16-3)81-46-33-29-25-21-17-4/h34-42,47-77,83-94H,14-33,43-46,78-82H2,1-13H3
InChIKeyRBNABQZTOCQBNJ-UHFFFAOYSA-N
XLogP41.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds36
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001897.77
LogP ≤ 541.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,9,9-trimethyl-6H-fluoren-2-yl]-10-(2-phenylphenyl)phenoxazine with MolForge

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Related Compounds

3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine
CID 126614191
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene
CID 138569718
2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 59512866
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene
CID 160646857
2-(4-bromo-3,5-dimethylphenyl)-7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 145436592
2-[9,9-dimethyl-7-(4-methylnaphthalen-1-yl)fluoren-2-yl]-7-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluorene
CID 169036311
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
3-(9,9-dimethylfluoren-2-yl)-7-[4-[30-[4-[7-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]phenyl]dibenzothiophene
CID 146593510
8,30-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]-5,5,33,33-tetramethyl-19,19-dioctylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 156624104

Frequently Asked Questions

What is the IUPAC name of 3-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,9,9-trimethyl-6H-fluoren-2-yl]-10-(2-phenylphenyl)phenoxazine?
The IUPAC name of 3-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,9,9-trimethyl-6H-fluoren-2-yl]-10-(2-phenylphenyl)phenoxazine (CID 167161120) is 3-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,9,9-trimethyl-6H-fluoren-2-yl]-10-(2-phenylphenyl)phenoxazine.
What is the SMILES notation for 3-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,9,9-trimethyl-6H-fluoren-2-yl]-10-(2-phenylphenyl)phenoxazine?
The canonical SMILES for 3-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,9,9-trimethyl-6H-fluoren-2-yl]-10-(2-phenylphenyl)phenoxazine is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)Oc7cc(-c9ccc%10c(c9)C(C)(C)C9=CC(C)(c%11ccc%12c(c%11)C(C)(C)c%11cc(-c%13ccc%14c(c%13)C(CCCCCCCC)(CCCCCCCC)c%13ccccc%13-%14)ccc%11-%12)CC=C9%10)ccc7N8c7ccccc7-c7ccccc7)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 3-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,9,9-trimethyl-6H-fluoren-2-yl]-10-(2-phenylphenyl)phenoxazine?
The InChIKey is RBNABQZTOCQBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C143H149NO/c1-14-18-22-26-30-43-78-142(79-44-31-27-23-19-15-2)120-52-40-37-50-108(120)117-72-61-102(89-129(117)142)98-57-68-112-110-66-55-96(83-122(110)137(5,6)124(112)85-98)97-56-67-111-113-70-59-100(87-125(113)138(7,8)123(111)84-97)104-63-75-133-135(91-104)145-136-92-105(64-76-134(136)144(133)132-54-42-39-49-107(132)95-47-35-34-36-48-95)101-60-71-115-119-77-82-141(13,94-131(119)140(11,12)127(115)88-101)106-65-74-116-114-69-58-99(86-126(114)139(9,10)128(116)93-106)103-62-73-118-109-51-38-41-53-121(109)143(130(118)90-103,80-45-32-28-24-20-16-3)81-46-33-29-25-21-17-4/h34-42,47-77,83-94H,14-33,43-46,78-82H2,1-13H3.
What are the key properties of 3-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,9,9-trimethyl-6H-fluoren-2-yl]-10-(2-phenylphenyl)phenoxazine?
3-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,9,9-trimethyl-6H-fluoren-2-yl]-10-(2-phenylphenyl)phenoxazine has a molecular weight of 1897.77 g/mol, XLogP of 41.68, 36 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,9,9-trimethyl-6H-fluoren-2-yl]-10-(2-phenylphenyl)phenoxazine is sourced from PubChem (CID 167161120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).