(4-isocyanophenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-isocyanophenyl) 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluoren-2-yl] 4-isocyanobenzoate;(4-octoxyphenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-pentylphenyl) 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate

C242H273F6N3O36 — CID 157294235

IUPAC(4-isocyanophenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-isocyanophenyl) 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluoren-2-yl] 4-isocyanobenzoate;(4-octoxyphenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-pentylphenyl) 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate
SMILESCC1c2cc(OCCCCCCOCC3(C)COC3)ccc2-c2ccc(C(=O)Oc3ccc(OC(F)(F)F)cc3)cc21.CC1c2cc(OCCCCOCC3(C)CCC3)ccc2-c2ccc(C(=O)Oc3ccc(OC(F)(F)F)cc3)cc21.CCCCCCCCOc1ccc(OC(=O)c2ccc3c(c2)C(C)c2cc(OCCCCCCOCC4(CC)COC4)ccc2-3)cc1.CCCCCc1ccc(OC(=O)c2ccc3c(c2)C(C)c2cc(OCCCCCCOCC4(C)COC4)ccc2-3)cc1.[C-]#[N+]c1ccc(C(=O)Oc2ccc3c(c2)C(C)c2cc(OCCCCCCOCC4(C)COC4)ccc2-3)cc1.[C-]#[N+]c1ccc(OC(=O)c2ccc3c(c2)C(C)c2cc(OCCCCCCOCC4(CC)COC4)ccc2-3)cc1.[C-]#[N+]c1ccc(OC(=O)c2ccc3c(c2)C(C)c2cc(OCCCCOCC4(C)CCC4)ccc2-3)cc1
InChIInChI=1S/C41H54O6.C37H46O5.C34H37NO5.C33H35F3O6.C33H35NO5.C32H33F3O5.C32H33NO4/c1-4-6-7-8-9-13-24-45-33-16-18-34(19-17-33)47-40(42)32-15-21-36-37-22-20-35(27-39(37)31(3)38(36)26-32)46-25-14-11-10-12-23-43-28-41(5-2)29-44-30-41;1-4-5-8-11-28-12-15-30(16-13-28)42-36(38)29-14-18-32-33-19-17-31(23-35(33)27(2)34(32)22-29)41-21-10-7-6-9-20-39-24-37(3)25-40-26-37;1-4-34(22-38-23-34)21-37-17-7-5-6-8-18-39-28-14-16-30-29-15-9-25(19-31(29)24(2)32(30)20-28)33(36)40-27-12-10-26(35-3)11-13-27;1-22-29-17-23(31(37)41-24-8-10-25(11-9-24)42-33(34,35)36)7-13-27(29)28-14-12-26(18-30(22)28)40-16-6-4-3-5-15-38-19-32(2)20-39-21-32;1-23-30-18-26(38-17-7-5-4-6-16-36-20-33(2)21-37-22-33)12-14-28(30)29-15-13-27(19-31(23)29)39-32(35)24-8-10-25(34-3)11-9-24;1-21-28-18-22(30(36)39-23-7-9-24(10-8-23)40-32(33,34)35)6-12-26(28)27-13-11-25(19-29(21)27)38-17-4-3-16-37-20-31(2)14-5-15-31;1-22-29-19-23(31(34)37-25-10-8-24(33-3)9-11-25)7-13-27(29)28-14-12-26(20-30(22)28)36-18-5-4-17-35-21-32(2)15-6-16-32/h15-22,26-27,31H,4-14,23-25,28-30H2,1-3H3;12-19,22-23,27H,4-11,20-21,24-26H2,1-3H3;9-16,19-20,24H,4-8,17-18,21-23H2,1-2H3;7-14,17-18,22H,3-6,15-16,19-21H2,1-2H3;8-15,18-19,23H,4-7,16-17,20-22H2,1-2H3;6-13,18-19,21H,3-5,14-17,20H2,1-2H3;7-14,19-20,22H,4-6,15-18,21H2,1-2H3
InChIKeyBBDRLEAABHEGJD-UHFFFAOYSA-N
MW3913.82 g/mol
LogP58.66
Rot. Bonds96

About (4-isocyanophenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-isocyanophenyl) 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluoren-2-yl] 4-isocyanobenzoate;(4-octoxyphenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-pentylphenyl) 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate

(4-isocyanophenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-isocyanophenyl) 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluoren-2-yl] 4-isocyanobenzoate;(4-octoxyphenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-pentylphenyl) 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate (PubChem CID 157294235) has the molecular formula C242H273F6N3O36 and a molecular weight of 3913.82 g/mol. Its IUPAC name is (4-isocyanophenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-isocyanophenyl) 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluoren-2-yl] 4-isocyanobenzoate;(4-octoxyphenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-pentylphenyl) 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate.

Molecular Properties

Compound Name(4-isocyanophenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-isocyanophenyl) 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluoren-2-yl] 4-isocyanobenzoate;(4-octoxyphenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-pentylphenyl) 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate
PubChem CID157294235
Molecular FormulaC242H273F6N3O36
Molecular Weight3913.82 g/mol
Exact Mass3910.95
IUPAC Name(4-isocyanophenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-isocyanophenyl) 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluoren-2-yl] 4-isocyanobenzoate;(4-octoxyphenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-pentylphenyl) 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate
SMILESCC1c2cc(OCCCCCCOCC3(C)COC3)ccc2-c2ccc(C(=O)Oc3ccc(OC(F)(F)F)cc3)cc21.CC1c2cc(OCCCCOCC3(C)CCC3)ccc2-c2ccc(C(=O)Oc3ccc(OC(F)(F)F)cc3)cc21.CCCCCCCCOc1ccc(OC(=O)c2ccc3c(c2)C(C)c2cc(OCCCCCCOCC4(CC)COC4)ccc2-3)cc1.CCCCCc1ccc(OC(=O)c2ccc3c(c2)C(C)c2cc(OCCCCCCOCC4(C)COC4)ccc2-3)cc1.[C-]#[N+]c1ccc(C(=O)Oc2ccc3c(c2)C(C)c2cc(OCCCCCCOCC4(C)COC4)ccc2-3)cc1.[C-]#[N+]c1ccc(OC(=O)c2ccc3c(c2)C(C)c2cc(OCCCCCCOCC4(CC)COC4)ccc2-3)cc1.[C-]#[N+]c1ccc(OC(=O)c2ccc3c(c2)C(C)c2cc(OCCCCOCC4(C)CCC4)ccc2-3)cc1
InChIInChI=1S/C41H54O6.C37H46O5.C34H37NO5.C33H35F3O6.C33H35NO5.C32H33F3O5.C32H33NO4/c1-4-6-7-8-9-13-24-45-33-16-18-34(19-17-33)47-40(42)32-15-21-36-37-22-20-35(27-39(37)31(3)38(36)26-32)46-25-14-11-10-12-23-43-28-41(5-2)29-44-30-41;1-4-5-8-11-28-12-15-30(16-13-28)42-36(38)29-14-18-32-33-19-17-31(23-35(33)27(2)34(32)22-29)41-21-10-7-6-9-20-39-24-37(3)25-40-26-37;1-4-34(22-38-23-34)21-37-17-7-5-6-8-18-39-28-14-16-30-29-15-9-25(19-31(29)24(2)32(30)20-28)33(36)40-27-12-10-26(35-3)11-13-27;1-22-29-17-23(31(37)41-24-8-10-25(11-9-24)42-33(34,35)36)7-13-27(29)28-14-12-26(18-30(22)28)40-16-6-4-3-5-15-38-19-32(2)20-39-21-32;1-23-30-18-26(38-17-7-5-4-6-16-36-20-33(2)21-37-22-33)12-14-28(30)29-15-13-27(19-31(23)29)39-32(35)24-8-10-25(34-3)11-9-24;1-21-28-18-22(30(36)39-23-7-9-24(10-8-23)40-32(33,34)35)6-12-26(28)27-13-11-25(19-29(21)27)38-17-4-3-16-37-20-31(2)14-5-15-31;1-22-29-19-23(31(34)37-25-10-8-24(33-3)9-11-25)7-13-27(29)28-14-12-26(20-30(22)28)36-18-5-4-17-35-21-32(2)15-6-16-32/h15-22,26-27,31H,4-14,23-25,28-30H2,1-3H3;12-19,22-23,27H,4-11,20-21,24-26H2,1-3H3;9-16,19-20,24H,4-8,17-18,21-23H2,1-2H3;7-14,17-18,22H,3-6,15-16,19-21H2,1-2H3;8-15,18-19,23H,4-7,16-17,20-22H2,1-2H3;6-13,18-19,21H,3-5,14-17,20H2,1-2H3;7-14,19-20,22H,4-6,15-18,21H2,1-2H3
InChIKeyBBDRLEAABHEGJD-UHFFFAOYSA-N
XLogP58.66
TPSA400.24 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds96
Heavy Atoms287
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003913.82
LogP ≤ 558.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze (4-isocyanophenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-isocyanophenyl) 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluoren-2-yl] 4-isocyanobenzoate;(4-octoxyphenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-pentylphenyl) 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-isocyanophenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-isocyanophenyl) 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluoren-2-yl] 4-isocyanobenzoate;(4-octoxyphenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-pentylphenyl) 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate?
The IUPAC name of (4-isocyanophenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-isocyanophenyl) 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluoren-2-yl] 4-isocyanobenzoate;(4-octoxyphenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-pentylphenyl) 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate (CID 157294235) is (4-isocyanophenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-isocyanophenyl) 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluoren-2-yl] 4-isocyanobenzoate;(4-octoxyphenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-pentylphenyl) 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate.
What is the SMILES notation for (4-isocyanophenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-isocyanophenyl) 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluoren-2-yl] 4-isocyanobenzoate;(4-octoxyphenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-pentylphenyl) 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate?
The canonical SMILES for (4-isocyanophenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-isocyanophenyl) 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluoren-2-yl] 4-isocyanobenzoate;(4-octoxyphenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-pentylphenyl) 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate is CC1c2cc(OCCCCCCOCC3(C)COC3)ccc2-c2ccc(C(=O)Oc3ccc(OC(F)(F)F)cc3)cc21.CC1c2cc(OCCCCOCC3(C)CCC3)ccc2-c2ccc(C(=O)Oc3ccc(OC(F)(F)F)cc3)cc21.CCCCCCCCOc1ccc(OC(=O)c2ccc3c(c2)C(C)c2cc(OCCCCCCOCC4(CC)COC4)ccc2-3)cc1.CCCCCc1ccc(OC(=O)c2ccc3c(c2)C(C)c2cc(OCCCCCCOCC4(C)COC4)ccc2-3)cc1.[C-]#[N+]c1ccc(C(=O)Oc2ccc3c(c2)C(C)c2cc(OCCCCCCOCC4(C)COC4)ccc2-3)cc1.[C-]#[N+]c1ccc(OC(=O)c2ccc3c(c2)C(C)c2cc(OCCCCCCOCC4(CC)COC4)ccc2-3)cc1.[C-]#[N+]c1ccc(OC(=O)c2ccc3c(c2)C(C)c2cc(OCCCCOCC4(C)CCC4)ccc2-3)cc1.
What is the InChIKey of (4-isocyanophenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-isocyanophenyl) 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluoren-2-yl] 4-isocyanobenzoate;(4-octoxyphenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-pentylphenyl) 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate?
The InChIKey is BBDRLEAABHEGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H54O6.C37H46O5.C34H37NO5.C33H35F3O6.C33H35NO5.C32H33F3O5.C32H33NO4/c1-4-6-7-8-9-13-24-45-33-16-18-34(19-17-33)47-40(42)32-15-21-36-37-22-20-35(27-39(37)31(3)38(36)26-32)46-25-14-11-10-12-23-43-28-41(5-2)29-44-30-41;1-4-5-8-11-28-12-15-30(16-13-28)42-36(38)29-14-18-32-33-19-17-31(23-35(33)27(2)34(32)22-29)41-21-10-7-6-9-20-39-24-37(3)25-40-26-37;1-4-34(22-38-23-34)21-37-17-7-5-6-8-18-39-28-14-16-30-29-15-9-25(19-31(29)24(2)32(30)20-28)33(36)40-27-12-10-26(35-3)11-13-27;1-22-29-17-23(31(37)41-24-8-10-25(11-9-24)42-33(34,35)36)7-13-27(29)28-14-12-26(18-30(22)28)40-16-6-4-3-5-15-38-19-32(2)20-39-21-32;1-23-30-18-26(38-17-7-5-4-6-16-36-20-33(2)21-37-22-33)12-14-28(30)29-15-13-27(19-31(23)29)39-32(35)24-8-10-25(34-3)11-9-24;1-21-28-18-22(30(36)39-23-7-9-24(10-8-23)40-32(33,34)35)6-12-26(28)27-13-11-25(19-29(21)27)38-17-4-3-16-37-20-31(2)14-5-15-31;1-22-29-19-23(31(34)37-25-10-8-24(33-3)9-11-25)7-13-27(29)28-14-12-26(20-30(22)28)36-18-5-4-17-35-21-32(2)15-6-16-32/h15-22,26-27,31H,4-14,23-25,28-30H2,1-3H3;12-19,22-23,27H,4-11,20-21,24-26H2,1-3H3;9-16,19-20,24H,4-8,17-18,21-23H2,1-2H3;7-14,17-18,22H,3-6,15-16,19-21H2,1-2H3;8-15,18-19,23H,4-7,16-17,20-22H2,1-2H3;6-13,18-19,21H,3-5,14-17,20H2,1-2H3;7-14,19-20,22H,4-6,15-18,21H2,1-2H3.
What are the key properties of (4-isocyanophenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-isocyanophenyl) 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluoren-2-yl] 4-isocyanobenzoate;(4-octoxyphenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-pentylphenyl) 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate?
(4-isocyanophenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-isocyanophenyl) 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluoren-2-yl] 4-isocyanobenzoate;(4-octoxyphenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-pentylphenyl) 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate has a molecular weight of 3913.82 g/mol, XLogP of 58.66, 96 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (4-isocyanophenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-isocyanophenyl) 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluoren-2-yl] 4-isocyanobenzoate;(4-octoxyphenyl) 7-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]-9-methyl-9H-fluorene-2-carboxylate;(4-pentylphenyl) 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[4-[(1-methylcyclobutyl)methoxy]butoxy]-9H-fluorene-2-carboxylate;[4-(trifluoromethoxy)phenyl] 9-methyl-7-[6-[(3-methyloxetan-3-yl)methoxy]hexoxy]-9H-fluorene-2-carboxylate is sourced from PubChem (CID 157294235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).