9,9-dimethyl-2-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]-7-[(E)-prop-1-enyl]fluorene;(Z)-2-[5-(hydroxymethyl)-4-[(Z)-1-isocyano-2-[5-methoxy-4-methyl-2-(2-methylbutoxy)phenyl]ethenyl]-2-(2-methylbutoxy)phenyl]but-2-enenitrile;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-prop-1-enyl]benzene;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-2-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]benzene;7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole;2,7,9,9-tetramethylfluorene

C151H166N4O8S — CID 161386509

IUPAC9,9-dimethyl-2-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]-7-[(E)-prop-1-enyl]fluorene;(Z)-2-[5-(hydroxymethyl)-4-[(Z)-1-isocyano-2-[5-methoxy-4-methyl-2-(2-methylbutoxy)phenyl]ethenyl]-2-(2-methylbutoxy)phenyl]but-2-enenitrile;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-prop-1-enyl]benzene;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-2-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]benzene;7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole;2,7,9,9-tetramethylfluorene
SMILESC/C=C/c1cc(OC)c(C)cc1OCC(C)CC.C/C=C/c1ccc(-c2ccc(/C=C/c3cc(OC)c(C)cc3OCC(C)CC)cc2)cc1.C/C=C/c1ccc2c(c1)C(C)(C)c1cc(/C=C/c3ccc(-c4ccc(C)cc4)cc3)ccc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc(C)c4nsnc34)ccc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.[C-]#[N+]/C(=C\c1cc(OC)c(C)cc1OCC(C)CC)c1cc(OCC(C)CC)c(/C(C#N)=C/C)cc1CO
InChIInChI=1S/C33H30.C32H40N2O4.C30H34O2.C23H20N2S.C17H18.C16H24O2/c1-5-6-25-13-19-29-30-20-14-26(22-32(30)33(3,4)31(29)21-25)10-9-24-11-17-28(18-12-24)27-15-7-23(2)8-16-27;1-9-21(4)19-37-31-12-23(6)30(36-8)15-25(31)14-29(34-7)27-16-32(38-20-22(5)10-2)28(13-26(27)18-35)24(11-3)17-33;1-6-8-24-9-14-26(15-10-24)27-16-11-25(12-17-27)13-18-28-20-29(31-5)23(4)19-30(28)32-21-22(3)7-2;1-13-5-8-17-18-10-7-15(12-20(18)23(3,4)19(17)11-13)16-9-6-14(2)21-22(16)25-26-24-21;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-6-8-14-10-15(17-5)13(4)9-16(14)18-11-12(3)7-2/h5-22H,1-4H3;11-16,21-22,35H,9-10,18-20H2,1-6,8H3;6,8-20,22H,7,21H2,1-5H3;5-12H,1-4H3;5-10H,1-4H3;6,8-10,12H,7,11H2,1-5H3/b6-5+,10-9+;24-11+,29-14-;8-6+,18-13+;;;8-6+
InChIKeyVSKNRNNXEPVHRI-DXAAGDGNSA-N
MW2197.08 g/mol
LogP40.51
Rot. Bonds33

About 9,9-dimethyl-2-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]-7-[(E)-prop-1-enyl]fluorene;(Z)-2-[5-(hydroxymethyl)-4-[(Z)-1-isocyano-2-[5-methoxy-4-methyl-2-(2-methylbutoxy)phenyl]ethenyl]-2-(2-methylbutoxy)phenyl]but-2-enenitrile;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-prop-1-enyl]benzene;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-2-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]benzene;7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole;2,7,9,9-tetramethylfluorene

9,9-dimethyl-2-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]-7-[(E)-prop-1-enyl]fluorene;(Z)-2-[5-(hydroxymethyl)-4-[(Z)-1-isocyano-2-[5-methoxy-4-methyl-2-(2-methylbutoxy)phenyl]ethenyl]-2-(2-methylbutoxy)phenyl]but-2-enenitrile;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-prop-1-enyl]benzene;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-2-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]benzene;7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole;2,7,9,9-tetramethylfluorene (PubChem CID 161386509) has the molecular formula C151H166N4O8S and a molecular weight of 2197.08 g/mol. Its IUPAC name is 9,9-dimethyl-2-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]-7-[(E)-prop-1-enyl]fluorene;(Z)-2-[5-(hydroxymethyl)-4-[(Z)-1-isocyano-2-[5-methoxy-4-methyl-2-(2-methylbutoxy)phenyl]ethenyl]-2-(2-methylbutoxy)phenyl]but-2-enenitrile;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-prop-1-enyl]benzene;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-2-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]benzene;7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole;2,7,9,9-tetramethylfluorene.

Molecular Properties

Compound Name9,9-dimethyl-2-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]-7-[(E)-prop-1-enyl]fluorene;(Z)-2-[5-(hydroxymethyl)-4-[(Z)-1-isocyano-2-[5-methoxy-4-methyl-2-(2-methylbutoxy)phenyl]ethenyl]-2-(2-methylbutoxy)phenyl]but-2-enenitrile;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-prop-1-enyl]benzene;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-2-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]benzene;7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole;2,7,9,9-tetramethylfluorene
PubChem CID161386509
Molecular FormulaC151H166N4O8S
Molecular Weight2197.08 g/mol
Exact Mass2195.24
IUPAC Name9,9-dimethyl-2-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]-7-[(E)-prop-1-enyl]fluorene;(Z)-2-[5-(hydroxymethyl)-4-[(Z)-1-isocyano-2-[5-methoxy-4-methyl-2-(2-methylbutoxy)phenyl]ethenyl]-2-(2-methylbutoxy)phenyl]but-2-enenitrile;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-prop-1-enyl]benzene;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-2-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]benzene;7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole;2,7,9,9-tetramethylfluorene
SMILESC/C=C/c1cc(OC)c(C)cc1OCC(C)CC.C/C=C/c1ccc(-c2ccc(/C=C/c3cc(OC)c(C)cc3OCC(C)CC)cc2)cc1.C/C=C/c1ccc2c(c1)C(C)(C)c1cc(/C=C/c3ccc(-c4ccc(C)cc4)cc3)ccc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc(C)c4nsnc34)ccc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.[C-]#[N+]/C(=C\c1cc(OC)c(C)cc1OCC(C)CC)c1cc(OCC(C)CC)c(/C(C#N)=C/C)cc1CO
InChIInChI=1S/C33H30.C32H40N2O4.C30H34O2.C23H20N2S.C17H18.C16H24O2/c1-5-6-25-13-19-29-30-20-14-26(22-32(30)33(3,4)31(29)21-25)10-9-24-11-17-28(18-12-24)27-15-7-23(2)8-16-27;1-9-21(4)19-37-31-12-23(6)30(36-8)15-25(31)14-29(34-7)27-16-32(38-20-22(5)10-2)28(13-26(27)18-35)24(11-3)17-33;1-6-8-24-9-14-26(15-10-24)27-16-11-25(12-17-27)13-18-28-20-29(31-5)23(4)19-30(28)32-21-22(3)7-2;1-13-5-8-17-18-10-7-15(12-20(18)23(3,4)19(17)11-13)16-9-6-14(2)21-22(16)25-26-24-21;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-6-8-14-10-15(17-5)13(4)9-16(14)18-11-12(3)7-2/h5-22H,1-4H3;11-16,21-22,35H,9-10,18-20H2,1-6,8H3;6,8-20,22H,7,21H2,1-5H3;5-12H,1-4H3;5-10H,1-4H3;6,8-10,12H,7,11H2,1-5H3/b6-5+,10-9+;24-11+,29-14-;8-6+,18-13+;;;8-6+
InChIKeyVSKNRNNXEPVHRI-DXAAGDGNSA-N
XLogP40.51
TPSA138.77 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds33
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002197.08
LogP ≤ 540.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 9,9-dimethyl-2-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]-7-[(E)-prop-1-enyl]fluorene;(Z)-2-[5-(hydroxymethyl)-4-[(Z)-1-isocyano-2-[5-methoxy-4-methyl-2-(2-methylbutoxy)phenyl]ethenyl]-2-(2-methylbutoxy)phenyl]but-2-enenitrile;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-prop-1-enyl]benzene;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-2-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]benzene;7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole;2,7,9,9-tetramethylfluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]-7-[(E)-prop-1-enyl]fluorene;(Z)-2-[5-(hydroxymethyl)-4-[(Z)-1-isocyano-2-[5-methoxy-4-methyl-2-(2-methylbutoxy)phenyl]ethenyl]-2-(2-methylbutoxy)phenyl]but-2-enenitrile;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-prop-1-enyl]benzene;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-2-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]benzene;7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole;2,7,9,9-tetramethylfluorene?
The IUPAC name of 9,9-dimethyl-2-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]-7-[(E)-prop-1-enyl]fluorene;(Z)-2-[5-(hydroxymethyl)-4-[(Z)-1-isocyano-2-[5-methoxy-4-methyl-2-(2-methylbutoxy)phenyl]ethenyl]-2-(2-methylbutoxy)phenyl]but-2-enenitrile;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-prop-1-enyl]benzene;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-2-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]benzene;7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole;2,7,9,9-tetramethylfluorene (CID 161386509) is 9,9-dimethyl-2-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]-7-[(E)-prop-1-enyl]fluorene;(Z)-2-[5-(hydroxymethyl)-4-[(Z)-1-isocyano-2-[5-methoxy-4-methyl-2-(2-methylbutoxy)phenyl]ethenyl]-2-(2-methylbutoxy)phenyl]but-2-enenitrile;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-prop-1-enyl]benzene;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-2-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]benzene;7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole;2,7,9,9-tetramethylfluorene.
What is the SMILES notation for 9,9-dimethyl-2-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]-7-[(E)-prop-1-enyl]fluorene;(Z)-2-[5-(hydroxymethyl)-4-[(Z)-1-isocyano-2-[5-methoxy-4-methyl-2-(2-methylbutoxy)phenyl]ethenyl]-2-(2-methylbutoxy)phenyl]but-2-enenitrile;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-prop-1-enyl]benzene;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-2-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]benzene;7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole;2,7,9,9-tetramethylfluorene?
The canonical SMILES for 9,9-dimethyl-2-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]-7-[(E)-prop-1-enyl]fluorene;(Z)-2-[5-(hydroxymethyl)-4-[(Z)-1-isocyano-2-[5-methoxy-4-methyl-2-(2-methylbutoxy)phenyl]ethenyl]-2-(2-methylbutoxy)phenyl]but-2-enenitrile;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-prop-1-enyl]benzene;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-2-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]benzene;7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole;2,7,9,9-tetramethylfluorene is C/C=C/c1cc(OC)c(C)cc1OCC(C)CC.C/C=C/c1ccc(-c2ccc(/C=C/c3cc(OC)c(C)cc3OCC(C)CC)cc2)cc1.C/C=C/c1ccc2c(c1)C(C)(C)c1cc(/C=C/c3ccc(-c4ccc(C)cc4)cc3)ccc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc(C)c4nsnc34)ccc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.[C-]#[N+]/C(=C\c1cc(OC)c(C)cc1OCC(C)CC)c1cc(OCC(C)CC)c(/C(C#N)=C/C)cc1CO.
What is the InChIKey of 9,9-dimethyl-2-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]-7-[(E)-prop-1-enyl]fluorene;(Z)-2-[5-(hydroxymethyl)-4-[(Z)-1-isocyano-2-[5-methoxy-4-methyl-2-(2-methylbutoxy)phenyl]ethenyl]-2-(2-methylbutoxy)phenyl]but-2-enenitrile;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-prop-1-enyl]benzene;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-2-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]benzene;7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole;2,7,9,9-tetramethylfluorene?
The InChIKey is VSKNRNNXEPVHRI-DXAAGDGNSA-N. The full InChI is InChI=1S/C33H30.C32H40N2O4.C30H34O2.C23H20N2S.C17H18.C16H24O2/c1-5-6-25-13-19-29-30-20-14-26(22-32(30)33(3,4)31(29)21-25)10-9-24-11-17-28(18-12-24)27-15-7-23(2)8-16-27;1-9-21(4)19-37-31-12-23(6)30(36-8)15-25(31)14-29(34-7)27-16-32(38-20-22(5)10-2)28(13-26(27)18-35)24(11-3)17-33;1-6-8-24-9-14-26(15-10-24)27-16-11-25(12-17-27)13-18-28-20-29(31-5)23(4)19-30(28)32-21-22(3)7-2;1-13-5-8-17-18-10-7-15(12-20(18)23(3,4)19(17)11-13)16-9-6-14(2)21-22(16)25-26-24-21;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-6-8-14-10-15(17-5)13(4)9-16(14)18-11-12(3)7-2/h5-22H,1-4H3;11-16,21-22,35H,9-10,18-20H2,1-6,8H3;6,8-20,22H,7,21H2,1-5H3;5-12H,1-4H3;5-10H,1-4H3;6,8-10,12H,7,11H2,1-5H3/b6-5+,10-9+;24-11+,29-14-;8-6+,18-13+;;;8-6+.
What are the key properties of 9,9-dimethyl-2-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]-7-[(E)-prop-1-enyl]fluorene;(Z)-2-[5-(hydroxymethyl)-4-[(Z)-1-isocyano-2-[5-methoxy-4-methyl-2-(2-methylbutoxy)phenyl]ethenyl]-2-(2-methylbutoxy)phenyl]but-2-enenitrile;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-prop-1-enyl]benzene;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-2-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]benzene;7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole;2,7,9,9-tetramethylfluorene?
9,9-dimethyl-2-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]-7-[(E)-prop-1-enyl]fluorene;(Z)-2-[5-(hydroxymethyl)-4-[(Z)-1-isocyano-2-[5-methoxy-4-methyl-2-(2-methylbutoxy)phenyl]ethenyl]-2-(2-methylbutoxy)phenyl]but-2-enenitrile;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-prop-1-enyl]benzene;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-2-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]benzene;7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole;2,7,9,9-tetramethylfluorene has a molecular weight of 2197.08 g/mol, XLogP of 40.51, 33 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]-7-[(E)-prop-1-enyl]fluorene;(Z)-2-[5-(hydroxymethyl)-4-[(Z)-1-isocyano-2-[5-methoxy-4-methyl-2-(2-methylbutoxy)phenyl]ethenyl]-2-(2-methylbutoxy)phenyl]but-2-enenitrile;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-prop-1-enyl]benzene;1-methoxy-2-methyl-4-(2-methylbutoxy)-5-[(E)-2-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]benzene;7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole;2,7,9,9-tetramethylfluorene is sourced from PubChem (CID 161386509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).