2-(9,9-dihexylfluoren-2-yl)-9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-7-methylfluorene

C65H96O8 — CID 20631270

IUPAC2-(9,9-dihexylfluoren-2-yl)-9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-7-methylfluorene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCOCCOCCOCCOC)(CCCCCCOCCOCCOCCOC)c3cc(C)ccc3-4)cc21
InChIInChI=1S/C65H96O8/c1-6-8-10-18-32-64(33-19-11-9-7-2)60-25-17-16-24-56(60)58-30-27-54(51-62(58)64)55-28-31-59-57-29-26-53(3)50-61(57)65(63(59)52-55,34-20-12-14-22-36-68-42-44-72-48-46-70-40-38-66-4)35-21-13-15-23-37-69-43-45-73-49-47-71-41-39-67-5/h16-17,24-31,50-52H,6-15,18-23,32-49H2,1-5H3
InChIKeyFTUUPDSEQWHFHP-UHFFFAOYSA-N
MW1005.47 g/mol
LogP15.43
Rot. Bonds43

About 2-(9,9-dihexylfluoren-2-yl)-9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-7-methylfluorene

2-(9,9-dihexylfluoren-2-yl)-9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-7-methylfluorene (PubChem CID 20631270) has the molecular formula C65H96O8 and a molecular weight of 1005.47 g/mol. Its IUPAC name is 2-(9,9-dihexylfluoren-2-yl)-9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-7-methylfluorene.

Molecular Properties

Compound Name2-(9,9-dihexylfluoren-2-yl)-9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-7-methylfluorene
PubChem CID20631270
Molecular FormulaC65H96O8
Molecular Weight1005.47 g/mol
Exact Mass1004.71
IUPAC Name2-(9,9-dihexylfluoren-2-yl)-9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-7-methylfluorene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCOCCOCCOCCOC)(CCCCCCOCCOCCOCCOC)c3cc(C)ccc3-4)cc21
InChIInChI=1S/C65H96O8/c1-6-8-10-18-32-64(33-19-11-9-7-2)60-25-17-16-24-56(60)58-30-27-54(51-62(58)64)55-28-31-59-57-29-26-53(3)50-61(57)65(63(59)52-55,34-20-12-14-22-36-68-42-44-72-48-46-70-40-38-66-4)35-21-13-15-23-37-69-43-45-73-49-47-71-41-39-67-5/h16-17,24-31,50-52H,6-15,18-23,32-49H2,1-5H3
InChIKeyFTUUPDSEQWHFHP-UHFFFAOYSA-N
XLogP15.43
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds43
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.47
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(9,9-dihexylfluoren-2-yl)-9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-7-methylfluorene with MolForge

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Related Compounds

6-Butyl-12-ethyl-6-propyl-12-[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene
CID 68010435
11-Methyl-12,12-diphenyl-11-[2-(trifluoromethoxy)ethyl]indeno[2,1-a]fluorene
CID 68010436
11-[2-(1,1-Difluoropropoxy)ethyl]-11-methyl-12,12-diphenylindeno[2,1-a]fluorene
CID 68010442
6-Butyl-12-ethyl-4-methyl-6-propyl-12-[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene
CID 68018118
8-[2-(1,1-Difluoropropoxy)ethyl]-15-phenylheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9,11,13,16,18,20,22(26),23-dodecaene
CID 70810027
4-Methyl-6,6-diphenyl-12,12-bis[2-(trifluoromethoxy)ethyl]indeno[1,2-b]fluorene
CID 88557700
3-[3-[2-[7-(7-Tert-butylpyren-1-yl)-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-ethenylfluoren-9-yl]propoxymethyl]-3-ethyloxetane
CID 129056197
2-[3-[2-[7-(7-Tert-butylpyren-1-yl)-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-ethenylfluoren-9-yl]propoxymethyl]oxirane
CID 129056198
5-[2-[9-Methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate
CID 134419466
21-[2-(1,1-Difluoropropoxy)ethyl]-21-methyl-3,3-diphenylpentacyclo[11.8.0.02,10.04,9.014,20]henicosa-1(13),2(10),4,6,8,11,14,17,19-nonaene
CID 144123725
10,10-Diphenyl-21,21-bis[2-(trifluoromethoxy)ethyl]pentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14,17,19-nonaene;ethane
CID 144123740
Triethyl 2,5,8-tribenzyl-1,3,4,6,7,9-hexahydrocyclopenta[e]-as-indacene-2,5,8-tricarboxylate
CID 12033456

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dihexylfluoren-2-yl)-9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-7-methylfluorene?
The IUPAC name of 2-(9,9-dihexylfluoren-2-yl)-9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-7-methylfluorene (CID 20631270) is 2-(9,9-dihexylfluoren-2-yl)-9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-7-methylfluorene.
What is the SMILES notation for 2-(9,9-dihexylfluoren-2-yl)-9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-7-methylfluorene?
The canonical SMILES for 2-(9,9-dihexylfluoren-2-yl)-9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-7-methylfluorene is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCCCCCOCCOCCOCCOC)(CCCCCCOCCOCCOCCOC)c3cc(C)ccc3-4)cc21.
What is the InChIKey of 2-(9,9-dihexylfluoren-2-yl)-9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-7-methylfluorene?
The InChIKey is FTUUPDSEQWHFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H96O8/c1-6-8-10-18-32-64(33-19-11-9-7-2)60-25-17-16-24-56(60)58-30-27-54(51-62(58)64)55-28-31-59-57-29-26-53(3)50-61(57)65(63(59)52-55,34-20-12-14-22-36-68-42-44-72-48-46-70-40-38-66-4)35-21-13-15-23-37-69-43-45-73-49-47-71-41-39-67-5/h16-17,24-31,50-52H,6-15,18-23,32-49H2,1-5H3.
What are the key properties of 2-(9,9-dihexylfluoren-2-yl)-9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-7-methylfluorene?
2-(9,9-dihexylfluoren-2-yl)-9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-7-methylfluorene has a molecular weight of 1005.47 g/mol, XLogP of 15.43, 43 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dihexylfluoren-2-yl)-9,9-bis[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]hexyl]-7-methylfluorene is sourced from PubChem (CID 20631270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).