9,9-bis(3,4-dimethoxyphenyl)-2,7-dimethylfluorene;9,9-bis(3-methoxyphenyl)-2,7-dimethylfluorene;ethyl 5-[9-(3-ethoxycarbonyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate;ethyl 3-[9-(3-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate;ethyl 4-[9-(4-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate

C161H150O20 — CID 159613089

IUPAC9,9-bis(3,4-dimethoxyphenyl)-2,7-dimethylfluorene;9,9-bis(3-methoxyphenyl)-2,7-dimethylfluorene;ethyl 5-[9-(3-ethoxycarbonyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate;ethyl 3-[9-(3-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate;ethyl 4-[9-(4-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate
SMILESCCOC(=O)c1cc(C2(c3ccc(OC)c(C(=O)OCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)ccc1OC.CCOC(=O)c1ccc(C2(c3ccc(C(=O)OCC)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.CCOC(=O)c1cccc(C2(c3cccc(C(=O)OCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.COc1ccc(C2(c3ccc(OC)c(OC)c3)c3cc(C)ccc3-c3ccc(C)cc32)cc1OC.COc1cccc(C2(c3cccc(OC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1
InChIInChI=1S/C35H34O6.2C33H30O4.C31H30O4.C29H26O2/c1-7-40-33(36)27-19-23(11-15-31(27)38-5)35(24-12-16-32(39-6)28(20-24)34(37)41-8-2)29-17-21(3)9-13-25(29)26-14-10-22(4)18-30(26)35;1-5-36-31(34)23-9-13-25(14-10-23)33(26-15-11-24(12-16-26)32(35)37-6-2)29-19-21(3)7-17-27(29)28-18-8-22(4)20-30(28)33;1-5-36-31(34)23-9-7-11-25(19-23)33(26-12-8-10-24(20-26)32(35)37-6-2)29-17-21(3)13-15-27(29)28-16-14-22(4)18-30(28)33;1-19-7-11-23-24-12-8-20(2)16-26(24)31(25(23)15-19,21-9-13-27(32-3)29(17-21)34-5)22-10-14-28(33-4)30(18-22)35-6;1-19-11-13-25-26-14-12-20(2)16-28(26)29(27(25)15-19,21-7-5-9-23(17-21)30-3)22-8-6-10-24(18-22)31-4/h9-20H,7-8H2,1-6H3;2*7-20H,5-6H2,1-4H3;7-18H,1-6H3;5-18H,1-4H3
InChIKeyMMYIWXDGULPZBA-UHFFFAOYSA-N
MW2404.95 g/mol
LogP34.46
Rot. Bonds30

About 9,9-bis(3,4-dimethoxyphenyl)-2,7-dimethylfluorene;9,9-bis(3-methoxyphenyl)-2,7-dimethylfluorene;ethyl 5-[9-(3-ethoxycarbonyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate;ethyl 3-[9-(3-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate;ethyl 4-[9-(4-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate

9,9-bis(3,4-dimethoxyphenyl)-2,7-dimethylfluorene;9,9-bis(3-methoxyphenyl)-2,7-dimethylfluorene;ethyl 5-[9-(3-ethoxycarbonyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate;ethyl 3-[9-(3-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate;ethyl 4-[9-(4-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate (PubChem CID 159613089) has the molecular formula C161H150O20 and a molecular weight of 2404.95 g/mol. Its IUPAC name is 9,9-bis(3,4-dimethoxyphenyl)-2,7-dimethylfluorene;9,9-bis(3-methoxyphenyl)-2,7-dimethylfluorene;ethyl 5-[9-(3-ethoxycarbonyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate;ethyl 3-[9-(3-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate;ethyl 4-[9-(4-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate.

Molecular Properties

Compound Name9,9-bis(3,4-dimethoxyphenyl)-2,7-dimethylfluorene;9,9-bis(3-methoxyphenyl)-2,7-dimethylfluorene;ethyl 5-[9-(3-ethoxycarbonyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate;ethyl 3-[9-(3-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate;ethyl 4-[9-(4-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate
PubChem CID159613089
Molecular FormulaC161H150O20
Molecular Weight2404.95 g/mol
Exact Mass2403.07
IUPAC Name9,9-bis(3,4-dimethoxyphenyl)-2,7-dimethylfluorene;9,9-bis(3-methoxyphenyl)-2,7-dimethylfluorene;ethyl 5-[9-(3-ethoxycarbonyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate;ethyl 3-[9-(3-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate;ethyl 4-[9-(4-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate
SMILESCCOC(=O)c1cc(C2(c3ccc(OC)c(C(=O)OCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)ccc1OC.CCOC(=O)c1ccc(C2(c3ccc(C(=O)OCC)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.CCOC(=O)c1cccc(C2(c3cccc(C(=O)OCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.COc1ccc(C2(c3ccc(OC)c(OC)c3)c3cc(C)ccc3-c3ccc(C)cc32)cc1OC.COc1cccc(C2(c3cccc(OC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1
InChIInChI=1S/C35H34O6.2C33H30O4.C31H30O4.C29H26O2/c1-7-40-33(36)27-19-23(11-15-31(27)38-5)35(24-12-16-32(39-6)28(20-24)34(37)41-8-2)29-17-21(3)9-13-25(29)26-14-10-22(4)18-30(26)35;1-5-36-31(34)23-9-13-25(14-10-23)33(26-15-11-24(12-16-26)32(35)37-6-2)29-19-21(3)7-17-27(29)28-18-8-22(4)20-30(28)33;1-5-36-31(34)23-9-7-11-25(19-23)33(26-12-8-10-24(20-26)32(35)37-6-2)29-17-21(3)13-15-27(29)28-16-14-22(4)18-30(28)33;1-19-7-11-23-24-12-8-20(2)16-26(24)31(25(23)15-19,21-9-13-27(32-3)29(17-21)34-5)22-10-14-28(33-4)30(18-22)35-6;1-19-11-13-25-26-14-12-20(2)16-28(26)29(27(25)15-19,21-7-5-9-23(17-21)30-3)22-8-6-10-24(18-22)31-4/h9-20H,7-8H2,1-6H3;2*7-20H,5-6H2,1-4H3;7-18H,1-6H3;5-18H,1-4H3
InChIKeyMMYIWXDGULPZBA-UHFFFAOYSA-N
XLogP34.46
TPSA231.64 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002404.95
LogP ≤ 534.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 9,9-bis(3,4-dimethoxyphenyl)-2,7-dimethylfluorene;9,9-bis(3-methoxyphenyl)-2,7-dimethylfluorene;ethyl 5-[9-(3-ethoxycarbonyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate;ethyl 3-[9-(3-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate;ethyl 4-[9-(4-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate with MolForge

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Related Compounds

5-[9-(3-carboxy-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoic acid
CID 59184145
ethyl 5-[9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2,7-dimethylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate
CID 58078177
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-methoxybenzoate
CID 16522195
12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetrakis(4-methylphenyl)-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;carbon dioxide;ethyl 5-[9-(3-ethyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate
CID 157269825
ethyl 5-ethenyl-2-methoxybenzoate
CID 172649040
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-(3-formylphenoxy)-4-methoxybenzoate
CID 132822056
ethyl 3-[(3E)-3-[(2,5-dimethoxyphenyl)-hydroxymethylidene]-2-(3-methylphenyl)-4,5-dioxopyrrolidin-1-yl]benzoate
CID 108670249
ethyl 5-amino-2-methoxybenzoate
CID 22180184
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 3-(1-methylcyclopropyl)benzoate
CID 163599215

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(3,4-dimethoxyphenyl)-2,7-dimethylfluorene;9,9-bis(3-methoxyphenyl)-2,7-dimethylfluorene;ethyl 5-[9-(3-ethoxycarbonyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate;ethyl 3-[9-(3-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate;ethyl 4-[9-(4-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate?
The IUPAC name of 9,9-bis(3,4-dimethoxyphenyl)-2,7-dimethylfluorene;9,9-bis(3-methoxyphenyl)-2,7-dimethylfluorene;ethyl 5-[9-(3-ethoxycarbonyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate;ethyl 3-[9-(3-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate;ethyl 4-[9-(4-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate (CID 159613089) is 9,9-bis(3,4-dimethoxyphenyl)-2,7-dimethylfluorene;9,9-bis(3-methoxyphenyl)-2,7-dimethylfluorene;ethyl 5-[9-(3-ethoxycarbonyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate;ethyl 3-[9-(3-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate;ethyl 4-[9-(4-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate.
What is the SMILES notation for 9,9-bis(3,4-dimethoxyphenyl)-2,7-dimethylfluorene;9,9-bis(3-methoxyphenyl)-2,7-dimethylfluorene;ethyl 5-[9-(3-ethoxycarbonyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate;ethyl 3-[9-(3-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate;ethyl 4-[9-(4-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate?
The canonical SMILES for 9,9-bis(3,4-dimethoxyphenyl)-2,7-dimethylfluorene;9,9-bis(3-methoxyphenyl)-2,7-dimethylfluorene;ethyl 5-[9-(3-ethoxycarbonyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate;ethyl 3-[9-(3-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate;ethyl 4-[9-(4-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate is CCOC(=O)c1cc(C2(c3ccc(OC)c(C(=O)OCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)ccc1OC.CCOC(=O)c1ccc(C2(c3ccc(C(=O)OCC)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.CCOC(=O)c1cccc(C2(c3cccc(C(=O)OCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.COc1ccc(C2(c3ccc(OC)c(OC)c3)c3cc(C)ccc3-c3ccc(C)cc32)cc1OC.COc1cccc(C2(c3cccc(OC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.
What is the InChIKey of 9,9-bis(3,4-dimethoxyphenyl)-2,7-dimethylfluorene;9,9-bis(3-methoxyphenyl)-2,7-dimethylfluorene;ethyl 5-[9-(3-ethoxycarbonyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate;ethyl 3-[9-(3-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate;ethyl 4-[9-(4-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate?
The InChIKey is MMYIWXDGULPZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34O6.2C33H30O4.C31H30O4.C29H26O2/c1-7-40-33(36)27-19-23(11-15-31(27)38-5)35(24-12-16-32(39-6)28(20-24)34(37)41-8-2)29-17-21(3)9-13-25(29)26-14-10-22(4)18-30(26)35;1-5-36-31(34)23-9-13-25(14-10-23)33(26-15-11-24(12-16-26)32(35)37-6-2)29-19-21(3)7-17-27(29)28-18-8-22(4)20-30(28)33;1-5-36-31(34)23-9-7-11-25(19-23)33(26-12-8-10-24(20-26)32(35)37-6-2)29-17-21(3)13-15-27(29)28-16-14-22(4)18-30(28)33;1-19-7-11-23-24-12-8-20(2)16-26(24)31(25(23)15-19,21-9-13-27(32-3)29(17-21)34-5)22-10-14-28(33-4)30(18-22)35-6;1-19-11-13-25-26-14-12-20(2)16-28(26)29(27(25)15-19,21-7-5-9-23(17-21)30-3)22-8-6-10-24(18-22)31-4/h9-20H,7-8H2,1-6H3;2*7-20H,5-6H2,1-4H3;7-18H,1-6H3;5-18H,1-4H3.
What are the key properties of 9,9-bis(3,4-dimethoxyphenyl)-2,7-dimethylfluorene;9,9-bis(3-methoxyphenyl)-2,7-dimethylfluorene;ethyl 5-[9-(3-ethoxycarbonyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate;ethyl 3-[9-(3-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate;ethyl 4-[9-(4-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate?
9,9-bis(3,4-dimethoxyphenyl)-2,7-dimethylfluorene;9,9-bis(3-methoxyphenyl)-2,7-dimethylfluorene;ethyl 5-[9-(3-ethoxycarbonyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate;ethyl 3-[9-(3-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate;ethyl 4-[9-(4-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate has a molecular weight of 2404.95 g/mol, XLogP of 34.46, 30 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(3,4-dimethoxyphenyl)-2,7-dimethylfluorene;9,9-bis(3-methoxyphenyl)-2,7-dimethylfluorene;ethyl 5-[9-(3-ethoxycarbonyl-4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]-2-methoxybenzoate;ethyl 3-[9-(3-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate;ethyl 4-[9-(4-ethoxycarbonylphenyl)-2,7-dimethylfluoren-9-yl]benzoate is sourced from PubChem (CID 159613089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).