7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene

C185H213Cl — CID 169036189

IUPAC7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene
SMILESCCCCCCCCC1(CCCCCCC)c2cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(CCCCCCCC)(CCCCCCCC)c6ccccc6-7)ccc4-5)cc3)ccc2-c2ccc(-c3cc(C)c4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc7c(c6)C(CCCCCCCC)(CCCCCCCC)c6cc(-c8ccc9c(c8)C(C)(C)c8cc(-c%10ccc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11cc(-c%13ccc(Cl)cc%13)ccc%11-%12)cc%10)ccc8-9)ccc6-7)cc5)ccc3-4)cc21
InChIInChI=1S/C185H213Cl/c1-16-24-32-40-48-58-107-182(108-59-49-41-33-25-17-2)164-66-56-55-65-151(164)156-103-89-146(125-170(156)182)144-87-97-154-152-95-81-137(116-165(152)179(10,11)167(154)119-144)131-69-75-134(76-70-131)142-85-101-160-162-105-91-148(127-176(162)185(173(160)123-142,109-57-47-39-31-23-8)114-64-54-46-38-30-22-7)149-115-129(9)178-163-106-92-139(118-169(163)181(14,15)177(178)128-149)132-71-77-135(78-72-132)141-84-100-159-161-104-90-147(126-175(161)184(172(159)122-141,112-62-52-44-36-28-20-5)113-63-53-45-37-29-21-6)145-88-98-155-153-96-82-138(117-166(153)180(12,13)168(155)120-145)130-67-73-133(74-68-130)140-83-99-157-158-102-86-143(136-79-93-150(186)94-80-136)124-174(158)183(171(157)121-140,110-60-50-42-34-26-18-3)111-61-51-43-35-27-19-4/h55-56,65-106,115-128H,16-54,57-64,107-114H2,1-15H3
InChIKeyYRNNKQYTVXLBLQ-UHFFFAOYSA-N
MW2472.19 g/mol
LogP56.92
Rot. Bonds65

About 7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene

7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene (PubChem CID 169036189) has the molecular formula C185H213Cl and a molecular weight of 2472.19 g/mol. Its IUPAC name is 7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene.

Molecular Properties

Compound Name7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene
PubChem CID169036189
Molecular FormulaC185H213Cl
Molecular Weight2472.19 g/mol
Exact Mass2469.64
IUPAC Name7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene
SMILESCCCCCCCCC1(CCCCCCC)c2cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(CCCCCCCC)(CCCCCCCC)c6ccccc6-7)ccc4-5)cc3)ccc2-c2ccc(-c3cc(C)c4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc7c(c6)C(CCCCCCCC)(CCCCCCCC)c6cc(-c8ccc9c(c8)C(C)(C)c8cc(-c%10ccc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11cc(-c%13ccc(Cl)cc%13)ccc%11-%12)cc%10)ccc8-9)ccc6-7)cc5)ccc3-4)cc21
InChIInChI=1S/C185H213Cl/c1-16-24-32-40-48-58-107-182(108-59-49-41-33-25-17-2)164-66-56-55-65-151(164)156-103-89-146(125-170(156)182)144-87-97-154-152-95-81-137(116-165(152)179(10,11)167(154)119-144)131-69-75-134(76-70-131)142-85-101-160-162-105-91-148(127-176(162)185(173(160)123-142,109-57-47-39-31-23-8)114-64-54-46-38-30-22-7)149-115-129(9)178-163-106-92-139(118-169(163)181(14,15)177(178)128-149)132-71-77-135(78-72-132)141-84-100-159-161-104-90-147(126-175(161)184(172(159)122-141,112-62-52-44-36-28-20-5)113-63-53-45-37-29-21-6)145-88-98-155-153-96-82-138(117-166(153)180(12,13)168(155)120-145)130-67-73-133(74-68-130)140-83-99-157-158-102-86-143(136-79-93-150(186)94-80-136)124-174(158)183(171(157)121-140,110-60-50-42-34-26-18-3)111-61-51-43-35-27-19-4/h55-56,65-106,115-128H,16-54,57-64,107-114H2,1-15H3
InChIKeyYRNNKQYTVXLBLQ-UHFFFAOYSA-N
XLogP56.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds65
Heavy Atoms186
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002472.19
LogP ≤ 556.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene with MolForge

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Related Compounds

7-[4-[7-[7-[4-[7-[7-(4-chlorophenyl)-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene
CID 169036237
2-chloro-8-[4-[7-[7-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-5,9,9-trimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6,6,12,12-tetraoctylindeno[1,2-b]fluorene
CID 169036242
2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene
CID 138569718
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
8,30-bis[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-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 156624166
8,30-bis[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-5,5,19,19,33,33-hexamethylnonacyclo[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 156624078
8,30-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-19-heptyl-5,5,33,33-tetramethyl-19-octylnonacyclo[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 168838247
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 59512866
8-[4-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-2,5-dimethylphenyl]-30-[2,5-dimethyl-4-(6,6,12,12-tetraoctylindeno[1,2-b]fluoren-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 168838146
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 7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene?
The IUPAC name of 7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene (CID 169036189) is 7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene.
What is the SMILES notation for 7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene?
The canonical SMILES for 7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene is CCCCCCCCC1(CCCCCCC)c2cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(CCCCCCCC)(CCCCCCCC)c6ccccc6-7)ccc4-5)cc3)ccc2-c2ccc(-c3cc(C)c4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc7c(c6)C(CCCCCCCC)(CCCCCCCC)c6cc(-c8ccc9c(c8)C(C)(C)c8cc(-c%10ccc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11cc(-c%13ccc(Cl)cc%13)ccc%11-%12)cc%10)ccc8-9)ccc6-7)cc5)ccc3-4)cc21.
What is the InChIKey of 7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene?
The InChIKey is YRNNKQYTVXLBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C185H213Cl/c1-16-24-32-40-48-58-107-182(108-59-49-41-33-25-17-2)164-66-56-55-65-151(164)156-103-89-146(125-170(156)182)144-87-97-154-152-95-81-137(116-165(152)179(10,11)167(154)119-144)131-69-75-134(76-70-131)142-85-101-160-162-105-91-148(127-176(162)185(173(160)123-142,109-57-47-39-31-23-8)114-64-54-46-38-30-22-7)149-115-129(9)178-163-106-92-139(118-169(163)181(14,15)177(178)128-149)132-71-77-135(78-72-132)141-84-100-159-161-104-90-147(126-175(161)184(172(159)122-141,112-62-52-44-36-28-20-5)113-63-53-45-37-29-21-6)145-88-98-155-153-96-82-138(117-166(153)180(12,13)168(155)120-145)130-67-73-133(74-68-130)140-83-99-157-158-102-86-143(136-79-93-150(186)94-80-136)124-174(158)183(171(157)121-140,110-60-50-42-34-26-18-3)111-61-51-43-35-27-19-4/h55-56,65-106,115-128H,16-54,57-64,107-114H2,1-15H3.
What are the key properties of 7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene?
7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene has a molecular weight of 2472.19 g/mol, XLogP of 56.92, 65 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene is sourced from PubChem (CID 169036189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).