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

C173H226 — CID 168838146

IUPAC8-[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
SMILESCCCCCCCCC1(CCCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2cc(C)c(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc7c(cc5-6)C(CCCCCCCC)(CCCCCCCC)c5ccccc5-7)cc2C)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2cc(C)c(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc6c(cc4-5)C(CCCCCCC)(CCCCCCC)c4ccccc4-6)cc2C)c2ccccc2c1-3
InChIInChI=1S/C173H226/c1-19-29-39-49-59-77-99-170(100-78-60-50-40-30-20-2)152-92-74-72-88-132(152)144-118-160-146(120-158(144)170)134-96-94-128(112-156(134)172(160,103-81-63-53-43-33-23-5)104-82-64-54-44-34-24-6)138-108-126(14)140(110-124(138)12)142-114-164-166(136-90-70-68-86-130(136)142)150-122-162-148(116-154(150)168(164,17)18)147-115-153-149(121-161(147)173(162,105-83-65-55-45-35-25-7)106-84-66-56-46-36-26-8)165-135-89-69-67-85-129(135)141(113-163(165)167(153,15)16)139-109-123(11)137(107-125(139)13)127-93-95-133-145-119-157-143(131-87-71-73-91-151(131)169(157,97-75-57-47-37-27-9)98-76-58-48-38-28-10)117-159(145)171(155(133)111-127,101-79-61-51-41-31-21-3)102-80-62-52-42-32-22-4/h67-74,85-96,107-122H,19-66,75-84,97-106H2,1-18H3
InChIKeyKKXWCKJWXFJXJH-UHFFFAOYSA-N
MW2305.71 g/mol
LogP54.57
Rot. Bonds72

About 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

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 (PubChem CID 168838146) has the molecular formula C173H226 and a molecular weight of 2305.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID168838146
Molecular FormulaC173H226
Molecular Weight2305.71 g/mol
Exact Mass2303.77
IUPAC Name8-[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
SMILESCCCCCCCCC1(CCCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2cc(C)c(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc7c(cc5-6)C(CCCCCCCC)(CCCCCCCC)c5ccccc5-7)cc2C)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2cc(C)c(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc6c(cc4-5)C(CCCCCCC)(CCCCCCC)c4ccccc4-6)cc2C)c2ccccc2c1-3
InChIInChI=1S/C173H226/c1-19-29-39-49-59-77-99-170(100-78-60-50-40-30-20-2)152-92-74-72-88-132(152)144-118-160-146(120-158(144)170)134-96-94-128(112-156(134)172(160,103-81-63-53-43-33-23-5)104-82-64-54-44-34-24-6)138-108-126(14)140(110-124(138)12)142-114-164-166(136-90-70-68-86-130(136)142)150-122-162-148(116-154(150)168(164,17)18)147-115-153-149(121-161(147)173(162,105-83-65-55-45-35-25-7)106-84-66-56-46-36-26-8)165-135-89-69-67-85-129(135)141(113-163(165)167(153,15)16)139-109-123(11)137(107-125(139)13)127-93-95-133-145-119-157-143(131-87-71-73-91-151(131)169(157,97-75-57-47-37-27-9)98-76-58-48-38-28-10)117-159(145)171(155(133)111-127,101-79-61-51-41-31-21-3)102-80-62-52-42-32-22-4/h67-74,85-96,107-122H,19-66,75-84,97-106H2,1-18H3
InChIKeyKKXWCKJWXFJXJH-UHFFFAOYSA-N
XLogP54.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds72
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002305.71
LogP ≤ 554.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-[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-(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
8,30-bis[4-[4-[7-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]phenyl]-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 168838191
8,30-bis[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-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 156624097
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
8,30-bis[4-(7,7-dimethylbenzo[c]fluoren-5-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 156624199
3-(9,9-dioctylfluoren-2-yl)-7-[4-[11-[4-[7-(9,9-dioctylfluoren-2-yl)dibenzofuran-3-yl]naphthalen-1-yl]-14,14,21,21,31,31-hexamethyl-24-octacyclo[15.14.0.03,15.04,13.05,10.018,30.020,28.022,27]hentriaconta-1,3(15),4(13),5,7,9,11,16,18(30),19,22(27),23,25,28-tetradecaenyl]naphthalen-1-yl]dibenzofuran
CID 146593440
N-[2-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[2-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine
CID 155323817
8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-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 156624233
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
9-(9,9-dimethylfluoren-2-yl)-10-[10-(9,9-dipentylfluoren-2-yl)anthracen-9-yl]anthracene
CID 58782718

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCC1(CCCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2cc(C)c(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc7c(cc5-6)C(CCCCCCCC)(CCCCCCCC)c5ccccc5-7)cc2C)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2cc(C)c(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc6c(cc4-5)C(CCCCCCC)(CCCCCCC)c4ccccc4-6)cc2C)c2ccccc2c1-3.
What is the InChIKey of 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?
The InChIKey is KKXWCKJWXFJXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C173H226/c1-19-29-39-49-59-77-99-170(100-78-60-50-40-30-20-2)152-92-74-72-88-132(152)144-118-160-146(120-158(144)170)134-96-94-128(112-156(134)172(160,103-81-63-53-43-33-23-5)104-82-64-54-44-34-24-6)138-108-126(14)140(110-124(138)12)142-114-164-166(136-90-70-68-86-130(136)142)150-122-162-148(116-154(150)168(164,17)18)147-115-153-149(121-161(147)173(162,105-83-65-55-45-35-25-7)106-84-66-56-46-36-26-8)165-135-89-69-67-85-129(135)141(113-163(165)167(153,15)16)139-109-123(11)137(107-125(139)13)127-93-95-133-145-119-157-143(131-87-71-73-91-151(131)169(157,97-75-57-47-37-27-9)98-76-58-48-38-28-10)117-159(145)171(155(133)111-127,101-79-61-51-41-31-21-3)102-80-62-52-42-32-22-4/h67-74,85-96,107-122H,19-66,75-84,97-106H2,1-18H3.
What are the key properties of 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?
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 has a molecular weight of 2305.71 g/mol, XLogP of 54.57, 72 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168838146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).