5,6,14,15,23,24-hexakis(9,9-dihexyl-7-methylfluoren-2-yl)-18,18-dihexyl-9,9-dimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaene

C197H250 — CID 166021992

IUPAC5,6,14,15,23,24-hexakis(9,9-dihexyl-7-methylfluoren-2-yl)-18,18-dihexyl-9,9-dimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaene
SMILESCCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3cc4c(cc3-c3ccc5c(c3)C(CCCCCC)(CCCCCC)c3cc(C)ccc3-5)-c3c(c5c(c6c3C(CCCCCC)(CCCCCC)c3cc(-c7ccc8c(c7)C(CCCCCC)(CCCCCC)c7cc(C)ccc7-8)c(-c7ccc8c(c7)C(CCCCCC)(CCCCCC)c7cc(C)ccc7-8)cc3-6)C(C)(C)c3cc(-c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6cc(C)ccc6-7)c(-c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6cc(C)ccc6-7)cc3-5)C4)cc21
InChIInChI=1S/C197H250/c1-23-37-51-65-103-191(104-66-52-38-24-2)172-117-136(15)79-91-149(172)155-97-85-142(125-178(155)191)161-123-148-124-170-185(167(148)131-162(161)143-86-98-156-150-92-80-137(16)118-173(150)192(179(156)126-143,105-67-53-39-25-3)106-68-54-40-26-4)189-187(188-186(170)168-132-163(144-87-99-157-151-93-81-138(17)119-174(151)193(180(157)127-144,107-69-55-41-27-5)108-70-56-42-28-6)165(134-171(168)190(188,21)22)146-89-101-159-153-95-83-140(19)121-176(153)195(182(159)129-146,111-73-59-45-31-9)112-74-60-46-32-10)169-133-164(145-88-100-158-152-94-82-139(18)120-175(152)194(181(158)128-145,109-71-57-43-29-7)110-72-58-44-30-8)166(135-184(169)197(189,115-77-63-49-35-13)116-78-64-50-36-14)147-90-102-160-154-96-84-141(20)122-177(154)196(183(160)130-147,113-75-61-47-33-11)114-76-62-48-34-12/h79-102,117-123,125-135H,23-78,103-116,124H2,1-22H3
InChIKeyTXVQHVIUPHMQSY-UHFFFAOYSA-N
MW2618.17 g/mol
LogP60.87
Rot. Bonds76

About 5,6,14,15,23,24-hexakis(9,9-dihexyl-7-methylfluoren-2-yl)-18,18-dihexyl-9,9-dimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaene

5,6,14,15,23,24-hexakis(9,9-dihexyl-7-methylfluoren-2-yl)-18,18-dihexyl-9,9-dimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaene (PubChem CID 166021992) has the molecular formula C197H250 and a molecular weight of 2618.17 g/mol. Its IUPAC name is 5,6,14,15,23,24-hexakis(9,9-dihexyl-7-methylfluoren-2-yl)-18,18-dihexyl-9,9-dimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaene.

Molecular Properties

Compound Name5,6,14,15,23,24-hexakis(9,9-dihexyl-7-methylfluoren-2-yl)-18,18-dihexyl-9,9-dimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaene
PubChem CID166021992
Molecular FormulaC197H250
Molecular Weight2618.17 g/mol
Exact Mass2615.96
IUPAC Name5,6,14,15,23,24-hexakis(9,9-dihexyl-7-methylfluoren-2-yl)-18,18-dihexyl-9,9-dimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaene
SMILESCCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3cc4c(cc3-c3ccc5c(c3)C(CCCCCC)(CCCCCC)c3cc(C)ccc3-5)-c3c(c5c(c6c3C(CCCCCC)(CCCCCC)c3cc(-c7ccc8c(c7)C(CCCCCC)(CCCCCC)c7cc(C)ccc7-8)c(-c7ccc8c(c7)C(CCCCCC)(CCCCCC)c7cc(C)ccc7-8)cc3-6)C(C)(C)c3cc(-c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6cc(C)ccc6-7)c(-c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6cc(C)ccc6-7)cc3-5)C4)cc21
InChIInChI=1S/C197H250/c1-23-37-51-65-103-191(104-66-52-38-24-2)172-117-136(15)79-91-149(172)155-97-85-142(125-178(155)191)161-123-148-124-170-185(167(148)131-162(161)143-86-98-156-150-92-80-137(16)118-173(150)192(179(156)126-143,105-67-53-39-25-3)106-68-54-40-26-4)189-187(188-186(170)168-132-163(144-87-99-157-151-93-81-138(17)119-174(151)193(180(157)127-144,107-69-55-41-27-5)108-70-56-42-28-6)165(134-171(168)190(188,21)22)146-89-101-159-153-95-83-140(19)121-176(153)195(182(159)129-146,111-73-59-45-31-9)112-74-60-46-32-10)169-133-164(145-88-100-158-152-94-82-139(18)120-175(152)194(181(158)128-145,109-71-57-43-29-7)110-72-58-44-30-8)166(135-184(169)197(189,115-77-63-49-35-13)116-78-64-50-36-14)147-90-102-160-154-96-84-141(20)122-177(154)196(183(160)130-147,113-75-61-47-33-11)114-76-62-48-34-12/h79-102,117-123,125-135H,23-78,103-116,124H2,1-22H3
InChIKeyTXVQHVIUPHMQSY-UHFFFAOYSA-N
XLogP60.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds76
Heavy Atoms197
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002618.17
LogP ≤ 560.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,6,14,15,23,24-hexakis(9,9-dihexyl-7-methylfluoren-2-yl)-18,18-dihexyl-9,9-dimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaene with MolForge

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Related Compounds

2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
8,8,17,17,26,26,38,38,47,47,56,56,68,68,77,77,86,86-octadecahexylpentacosacyclo[60.28.0.02,31.03,29.05,27.06,25.07,15.09,14.016,24.018,23.032,61.033,59.035,57.036,55.037,45.039,44.046,54.048,53.063,89.065,87.066,85.067,75.069,74.076,84.078,83]nonaconta-1,3,5(27),6,9,11,13,15,18,20,22,24,28,31,33,35(57),36,39,41,43,45,48,50,52,54,58,61,63,65(87),66,69,71,73,75,78,80,82,84,88-nonatriacontaene
CID 102210397
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2-(4-bromophenyl)-7-(4-methylphenyl)-9,9-dioctylfluorene
CID 71124155
2-[3-heptyl-4-(4-methylphenyl)phenyl]-7-methyl-9,9-dioctylfluorene
CID 58720499
2-methyl-6-[6-[6-(7-methyl-9,9-dioctylfluoren-2-yl)-2-pyridinyl]-2-pyridinyl]pyridine
CID 58850538
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline
CID 143848347
2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene
CID 140686916
2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene
CID 123179405
2-(4,6-diphenylpyrimidin-2-yl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]pyrimidine
CID 118345693
CID 173488082
CID 173488082

Frequently Asked Questions

What is the IUPAC name of 5,6,14,15,23,24-hexakis(9,9-dihexyl-7-methylfluoren-2-yl)-18,18-dihexyl-9,9-dimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaene?
The IUPAC name of 5,6,14,15,23,24-hexakis(9,9-dihexyl-7-methylfluoren-2-yl)-18,18-dihexyl-9,9-dimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaene (CID 166021992) is 5,6,14,15,23,24-hexakis(9,9-dihexyl-7-methylfluoren-2-yl)-18,18-dihexyl-9,9-dimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaene.
What is the SMILES notation for 5,6,14,15,23,24-hexakis(9,9-dihexyl-7-methylfluoren-2-yl)-18,18-dihexyl-9,9-dimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaene?
The canonical SMILES for 5,6,14,15,23,24-hexakis(9,9-dihexyl-7-methylfluoren-2-yl)-18,18-dihexyl-9,9-dimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaene is CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3cc4c(cc3-c3ccc5c(c3)C(CCCCCC)(CCCCCC)c3cc(C)ccc3-5)-c3c(c5c(c6c3C(CCCCCC)(CCCCCC)c3cc(-c7ccc8c(c7)C(CCCCCC)(CCCCCC)c7cc(C)ccc7-8)c(-c7ccc8c(c7)C(CCCCCC)(CCCCCC)c7cc(C)ccc7-8)cc3-6)C(C)(C)c3cc(-c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6cc(C)ccc6-7)c(-c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6cc(C)ccc6-7)cc3-5)C4)cc21.
What is the InChIKey of 5,6,14,15,23,24-hexakis(9,9-dihexyl-7-methylfluoren-2-yl)-18,18-dihexyl-9,9-dimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaene?
The InChIKey is TXVQHVIUPHMQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C197H250/c1-23-37-51-65-103-191(104-66-52-38-24-2)172-117-136(15)79-91-149(172)155-97-85-142(125-178(155)191)161-123-148-124-170-185(167(148)131-162(161)143-86-98-156-150-92-80-137(16)118-173(150)192(179(156)126-143,105-67-53-39-25-3)106-68-54-40-26-4)189-187(188-186(170)168-132-163(144-87-99-157-151-93-81-138(17)119-174(151)193(180(157)127-144,107-69-55-41-27-5)108-70-56-42-28-6)165(134-171(168)190(188,21)22)146-89-101-159-153-95-83-140(19)121-176(153)195(182(159)129-146,111-73-59-45-31-9)112-74-60-46-32-10)169-133-164(145-88-100-158-152-94-82-139(18)120-175(152)194(181(158)128-145,109-71-57-43-29-7)110-72-58-44-30-8)166(135-184(169)197(189,115-77-63-49-35-13)116-78-64-50-36-14)147-90-102-160-154-96-84-141(20)122-177(154)196(183(160)130-147,113-75-61-47-33-11)114-76-62-48-34-12/h79-102,117-123,125-135H,23-78,103-116,124H2,1-22H3.
What are the key properties of 5,6,14,15,23,24-hexakis(9,9-dihexyl-7-methylfluoren-2-yl)-18,18-dihexyl-9,9-dimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaene?
5,6,14,15,23,24-hexakis(9,9-dihexyl-7-methylfluoren-2-yl)-18,18-dihexyl-9,9-dimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaene has a molecular weight of 2618.17 g/mol, XLogP of 60.87, 76 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,14,15,23,24-hexakis(9,9-dihexyl-7-methylfluoren-2-yl)-18,18-dihexyl-9,9-dimethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21,23,25-dodecaene is sourced from PubChem (CID 166021992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).