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

C202H245Cl — CID 169036242

IUPAC2-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
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%13c(cc%11-%12)C(CCCCCCCC)(CCCCCCCC)c%11cc(Cl)ccc%11-%13)cc%10)ccc8-9)ccc6-7)cc5)ccc3-4)cc21
InChIInChI=1S/C202H245Cl/c1-18-28-38-48-58-70-117-198(118-71-59-49-39-29-19-2)178-80-68-67-79-163(178)168-111-100-158(136-184(168)198)156-98-107-166-164-105-93-150(128-179(164)195(12,13)181(166)131-156)144-81-87-147(88-82-144)154-96-110-170-172-113-102-160(138-188(172)200(186(170)134-154,119-69-57-47-37-27-10)122-74-62-52-42-32-22-5)161-127-143(11)194-175-115-103-152(130-183(175)197(16,17)193(194)139-161)146-85-91-148(92-86-146)153-95-109-169-171-112-101-159(137-187(171)199(185(169)133-153,120-72-60-50-40-30-20-3)121-73-61-51-41-31-21-4)157-99-108-167-165-106-94-151(129-180(165)196(14,15)182(167)132-157)145-83-89-149(90-84-145)155-97-114-173-176-141-192-177(142-191(176)201(189(173)135-155,123-75-63-53-43-33-23-6)124-76-64-54-44-34-24-7)174-116-104-162(203)140-190(174)202(192,125-77-65-55-45-35-25-8)126-78-66-56-46-36-26-9/h67-68,79-116,127-142H,18-66,69-78,117-126H2,1-17H3
InChIKeyAPEUPIVEQHJBOA-UHFFFAOYSA-N
MW2708.63 g/mol
LogP63.02
Rot. Bonds78

About 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

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 (PubChem CID 169036242) has the molecular formula C202H245Cl and a molecular weight of 2708.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID169036242
Molecular FormulaC202H245Cl
Molecular Weight2708.63 g/mol
Exact Mass2705.89
IUPAC Name2-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
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%13c(cc%11-%12)C(CCCCCCCC)(CCCCCCCC)c%11cc(Cl)ccc%11-%13)cc%10)ccc8-9)ccc6-7)cc5)ccc3-4)cc21
InChIInChI=1S/C202H245Cl/c1-18-28-38-48-58-70-117-198(118-71-59-49-39-29-19-2)178-80-68-67-79-163(178)168-111-100-158(136-184(168)198)156-98-107-166-164-105-93-150(128-179(164)195(12,13)181(166)131-156)144-81-87-147(88-82-144)154-96-110-170-172-113-102-160(138-188(172)200(186(170)134-154,119-69-57-47-37-27-10)122-74-62-52-42-32-22-5)161-127-143(11)194-175-115-103-152(130-183(175)197(16,17)193(194)139-161)146-85-91-148(92-86-146)153-95-109-169-171-112-101-159(137-187(171)199(185(169)133-153,120-72-60-50-40-30-20-3)121-73-61-51-41-31-21-4)157-99-108-167-165-106-94-151(129-180(165)196(14,15)182(167)132-157)145-83-89-149(90-84-145)155-97-114-173-176-141-192-177(142-191(176)201(189(173)135-155,123-75-63-53-43-33-23-6)124-76-64-54-44-34-24-7)174-116-104-162(203)140-190(174)202(192,125-77-65-55-45-35-25-8)126-78-66-56-46-36-26-9/h67-68,79-116,127-142H,18-66,69-78,117-126H2,1-17H3
InChIKeyAPEUPIVEQHJBOA-UHFFFAOYSA-N
XLogP63.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds78
Heavy Atoms203
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002708.63
LogP ≤ 563.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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-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
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-chloro-5-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 155088849
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
22-chloro-12-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaene
CID 146436897
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
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-[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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%13c(cc%11-%12)C(CCCCCCCC)(CCCCCCCC)c%11cc(Cl)ccc%11-%13)cc%10)ccc8-9)ccc6-7)cc5)ccc3-4)cc21.
What is the InChIKey of 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?
The InChIKey is APEUPIVEQHJBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C202H245Cl/c1-18-28-38-48-58-70-117-198(118-71-59-49-39-29-19-2)178-80-68-67-79-163(178)168-111-100-158(136-184(168)198)156-98-107-166-164-105-93-150(128-179(164)195(12,13)181(166)131-156)144-81-87-147(88-82-144)154-96-110-170-172-113-102-160(138-188(172)200(186(170)134-154,119-69-57-47-37-27-10)122-74-62-52-42-32-22-5)161-127-143(11)194-175-115-103-152(130-183(175)197(16,17)193(194)139-161)146-85-91-148(92-86-146)153-95-109-169-171-112-101-159(137-187(171)199(185(169)133-153,120-72-60-50-40-30-20-3)121-73-61-51-41-31-21-4)157-99-108-167-165-106-94-151(129-180(165)196(14,15)182(167)132-157)145-83-89-149(90-84-145)155-97-114-173-176-141-192-177(142-191(176)201(189(173)135-155,123-75-63-53-43-33-23-6)124-76-64-54-44-34-24-7)174-116-104-162(203)140-190(174)202(192,125-77-65-55-45-35-25-8)126-78-66-56-46-36-26-9/h67-68,79-116,127-142H,18-66,69-78,117-126H2,1-17H3.
What are the key properties of 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?
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 has a molecular weight of 2708.63 g/mol, XLogP of 63.02, 78 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169036242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).