6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene

C96H90O12 — CID 102358965

IUPAC6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene
SMILESCOCCOCCOCCC1(CCOCCOCCOC)c2ccccc2-c2ccc(-c3cc4c5cccc6c7cccc8c9cccc%10c%11cccc%12c%13cc(-c%14ccc%15c(c%14)C(CCOCCOCCOC)(CCOCCOCCOC)c%14ccccc%14-%15)cc%14c(c3)c4c3c(c65)c(c87)c(c9%10)c(c%11%12)c3c%13%14)cc21
InChIInChI=1S/C96H90O12/c1-97-37-41-105-49-45-101-33-29-95(30-34-102-46-50-106-42-38-98-2)79-23-7-5-13-63(79)65-27-25-59(57-81(65)95)61-53-75-73-21-11-19-71-69-17-9-15-67-68-16-10-18-70-72-20-12-22-74-76-54-62(56-78-77(55-61)87(75)93-91(85(71)73)89(83(67)69)90(84(68)70)92(86(72)74)94(93)88(76)78)60-26-28-66-64-14-6-8-24-80(64)96(82(66)58-60,31-35-103-47-51-107-43-39-99-3)32-36-104-48-52-108-44-40-100-4/h5-28,53-58H,29-52H2,1-4H3
InChIKeyHYMPKSMOGURAMO-UHFFFAOYSA-N
MW1435.76 g/mol
LogP20.30
Rot. Bonds38

About 6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene

6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene (PubChem CID 102358965) has the molecular formula C96H90O12 and a molecular weight of 1435.76 g/mol. Its IUPAC name is 6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene.

Molecular Properties

Compound Name6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene
PubChem CID102358965
Molecular FormulaC96H90O12
Molecular Weight1435.76 g/mol
Exact Mass1434.64
IUPAC Name6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene
SMILESCOCCOCCOCCC1(CCOCCOCCOC)c2ccccc2-c2ccc(-c3cc4c5cccc6c7cccc8c9cccc%10c%11cccc%12c%13cc(-c%14ccc%15c(c%14)C(CCOCCOCCOC)(CCOCCOCCOC)c%14ccccc%14-%15)cc%14c(c3)c4c3c(c65)c(c87)c(c9%10)c(c%11%12)c3c%13%14)cc21
InChIInChI=1S/C96H90O12/c1-97-37-41-105-49-45-101-33-29-95(30-34-102-46-50-106-42-38-98-2)79-23-7-5-13-63(79)65-27-25-59(57-81(65)95)61-53-75-73-21-11-19-71-69-17-9-15-67-68-16-10-18-70-72-20-12-22-74-76-54-62(56-78-77(55-61)87(75)93-91(85(71)73)89(83(67)69)90(84(68)70)92(86(72)74)94(93)88(76)78)60-26-28-66-64-14-6-8-24-80(64)96(82(66)58-60,31-35-103-47-51-107-43-39-99-3)32-36-104-48-52-108-44-40-100-4/h5-28,53-58H,29-52H2,1-4H3
InChIKeyHYMPKSMOGURAMO-UHFFFAOYSA-N
XLogP20.30
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds38
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001435.76
LogP ≤ 520.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene with MolForge

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Related Compounds

[7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol
CID 89030603
9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene
CID 142549933
N-[9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)-3-phenylphenyl]fluoren-2-amine
CID 177287502
9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 134222945
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
[4-(1-iodoethyl)benzenecarboximidoyl] 2,5-bis[9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]benzenecarboximidate
CID 142961500
9,9-bis(2-methoxyethoxymethyl)fluorene
CID 22561477
4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine
CID 58473634
[7-borono-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]boronic acid;ethane
CID 145347180
2-phenyl-9,9-dipropylfluorene
CID 154114384
2,2'-di(perylen-2-yl)-9,9'-spirobi[fluorene]
CID 91280575
CID 101438381
CID 101438381

Frequently Asked Questions

What is the IUPAC name of 6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene?
The IUPAC name of 6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene (CID 102358965) is 6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene.
What is the SMILES notation for 6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene?
The canonical SMILES for 6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene is COCCOCCOCCC1(CCOCCOCCOC)c2ccccc2-c2ccc(-c3cc4c5cccc6c7cccc8c9cccc%10c%11cccc%12c%13cc(-c%14ccc%15c(c%14)C(CCOCCOCCOC)(CCOCCOCCOC)c%14ccccc%14-%15)cc%14c(c3)c4c3c(c65)c(c87)c(c9%10)c(c%11%12)c3c%13%14)cc21.
What is the InChIKey of 6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene?
The InChIKey is HYMPKSMOGURAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H90O12/c1-97-37-41-105-49-45-101-33-29-95(30-34-102-46-50-106-42-38-98-2)79-23-7-5-13-63(79)65-27-25-59(57-81(65)95)61-53-75-73-21-11-19-71-69-17-9-15-67-68-16-10-18-70-72-20-12-22-74-76-54-62(56-78-77(55-61)87(75)93-91(85(71)73)89(83(67)69)90(84(68)70)92(86(72)74)94(93)88(76)78)60-26-28-66-64-14-6-8-24-80(64)96(82(66)58-60,31-35-103-47-51-107-43-39-99-3)32-36-104-48-52-108-44-40-100-4/h5-28,53-58H,29-52H2,1-4H3.
What are the key properties of 6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene?
6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene has a molecular weight of 1435.76 g/mol, XLogP of 20.30, 38 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene is sourced from PubChem (CID 102358965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).