tetrakis(9,9-dimethylfluorene);2-prop-2-ynoxyanthracene;decakis(prop-2-ynoxybenzene);2-prop-2-ynoxypyrene;bis(9,9,10,10-tetramethylanthracene)

C222H200O12 — CID 161203678

IUPACtetrakis(9,9-dimethylfluorene);2-prop-2-ynoxyanthracene;decakis(prop-2-ynoxybenzene);2-prop-2-ynoxypyrene;bis(9,9,10,10-tetramethylanthracene)
SMILESC#CCOc1cc2ccc3cccc4ccc(c1)c2c34.C#CCOc1ccc2cc3ccccc3cc2c1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2C(C)(C)c2ccccc21.CC1(C)c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C19H12O.2C18H20.C17H12O.4C15H14.10C9H8O/c1-2-10-20-17-11-15-8-6-13-4-3-5-14-7-9-16(12-17)19(15)18(13)14;2*1-17(2)13-9-5-7-11-15(13)18(3,4)16-12-8-6-10-14(16)17;1-2-9-18-17-8-7-15-10-13-5-3-4-6-14(13)11-16(15)12-17;4*1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;10*1-2-8-10-9-6-4-3-5-7-9/h1,3-9,11-12H,10H2;2*5-12H,1-4H3;1,3-8,10-12H,9H2;4*3-10H,1-2H3;10*1,3-7H,8H2
InChIKeyUVHXXHQMHXMURD-UHFFFAOYSA-N
MW3060.03 g/mol
LogP50.86
Rot. Bonds24

About tetrakis(9,9-dimethylfluorene);2-prop-2-ynoxyanthracene;decakis(prop-2-ynoxybenzene);2-prop-2-ynoxypyrene;bis(9,9,10,10-tetramethylanthracene)

tetrakis(9,9-dimethylfluorene);2-prop-2-ynoxyanthracene;decakis(prop-2-ynoxybenzene);2-prop-2-ynoxypyrene;bis(9,9,10,10-tetramethylanthracene) (PubChem CID 161203678) has the molecular formula C222H200O12 and a molecular weight of 3060.03 g/mol. Its IUPAC name is tetrakis(9,9-dimethylfluorene);2-prop-2-ynoxyanthracene;decakis(prop-2-ynoxybenzene);2-prop-2-ynoxypyrene;bis(9,9,10,10-tetramethylanthracene).

Molecular Properties

Compound Nametetrakis(9,9-dimethylfluorene);2-prop-2-ynoxyanthracene;decakis(prop-2-ynoxybenzene);2-prop-2-ynoxypyrene;bis(9,9,10,10-tetramethylanthracene)
PubChem CID161203678
Molecular FormulaC222H200O12
Molecular Weight3060.03 g/mol
Exact Mass3057.50
IUPAC Nametetrakis(9,9-dimethylfluorene);2-prop-2-ynoxyanthracene;decakis(prop-2-ynoxybenzene);2-prop-2-ynoxypyrene;bis(9,9,10,10-tetramethylanthracene)
SMILESC#CCOc1cc2ccc3cccc4ccc(c1)c2c34.C#CCOc1ccc2cc3ccccc3cc2c1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2C(C)(C)c2ccccc21.CC1(C)c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C19H12O.2C18H20.C17H12O.4C15H14.10C9H8O/c1-2-10-20-17-11-15-8-6-13-4-3-5-14-7-9-16(12-17)19(15)18(13)14;2*1-17(2)13-9-5-7-11-15(13)18(3,4)16-12-8-6-10-14(16)17;1-2-9-18-17-8-7-15-10-13-5-3-4-6-14(13)11-16(15)12-17;4*1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;10*1-2-8-10-9-6-4-3-5-7-9/h1,3-9,11-12H,10H2;2*5-12H,1-4H3;1,3-8,10-12H,9H2;4*3-10H,1-2H3;10*1,3-7H,8H2
InChIKeyUVHXXHQMHXMURD-UHFFFAOYSA-N
XLogP50.86
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003060.03
LogP ≤ 550.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze tetrakis(9,9-dimethylfluorene);2-prop-2-ynoxyanthracene;decakis(prop-2-ynoxybenzene);2-prop-2-ynoxypyrene;bis(9,9,10,10-tetramethylanthracene) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
ethane;prop-2-ynoxybenzene
CID 144946264
4-methyl-9-prop-2-ynoxyspiro[benzo[h]chromene-2,9'-fluorene]
CID 164808787
2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene
CID 59217059
anthracene;chrysene;21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;phenanthrene;picene;pyrene;tetracene
CID 160670506
anthracene;benzene;1,1'-biphenyl;chrysene;9,9-dimethylfluorene;(2,2-dimethylpropane);1,4-diphenylbenzene;methane;naphthalene;phenanthrene;1-phenyl-4-(4-phenylphenyl)benzene;pyrene
CID 159148400
1-methyl-8-prop-2-ynoxyspiro[benzo[f]chromene-3,9'-fluorene]
CID 164808728
2-methyl-5-[6-[9-[6-(2-methyl-1,3-dioxoisoindol-5-yl)oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione;2-methyl-5-[4-[9-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione;tetrakis(2-prop-2-ynoxynaphthalene)
CID 158575071
2-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]pyrene
CID 123253774
2-(6-ethoxynaphthalen-2-yl)-9,9-dimethylfluorene
CID 134294373
9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 58219949
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944

Frequently Asked Questions

What is the IUPAC name of tetrakis(9,9-dimethylfluorene);2-prop-2-ynoxyanthracene;decakis(prop-2-ynoxybenzene);2-prop-2-ynoxypyrene;bis(9,9,10,10-tetramethylanthracene)?
The IUPAC name of tetrakis(9,9-dimethylfluorene);2-prop-2-ynoxyanthracene;decakis(prop-2-ynoxybenzene);2-prop-2-ynoxypyrene;bis(9,9,10,10-tetramethylanthracene) (CID 161203678) is tetrakis(9,9-dimethylfluorene);2-prop-2-ynoxyanthracene;decakis(prop-2-ynoxybenzene);2-prop-2-ynoxypyrene;bis(9,9,10,10-tetramethylanthracene).
What is the SMILES notation for tetrakis(9,9-dimethylfluorene);2-prop-2-ynoxyanthracene;decakis(prop-2-ynoxybenzene);2-prop-2-ynoxypyrene;bis(9,9,10,10-tetramethylanthracene)?
The canonical SMILES for tetrakis(9,9-dimethylfluorene);2-prop-2-ynoxyanthracene;decakis(prop-2-ynoxybenzene);2-prop-2-ynoxypyrene;bis(9,9,10,10-tetramethylanthracene) is C#CCOc1cc2ccc3cccc4ccc(c1)c2c34.C#CCOc1ccc2cc3ccccc3cc2c1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.C#CCOc1ccccc1.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2C(C)(C)c2ccccc21.CC1(C)c2ccccc2C(C)(C)c2ccccc21.
What is the InChIKey of tetrakis(9,9-dimethylfluorene);2-prop-2-ynoxyanthracene;decakis(prop-2-ynoxybenzene);2-prop-2-ynoxypyrene;bis(9,9,10,10-tetramethylanthracene)?
The InChIKey is UVHXXHQMHXMURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O.2C18H20.C17H12O.4C15H14.10C9H8O/c1-2-10-20-17-11-15-8-6-13-4-3-5-14-7-9-16(12-17)19(15)18(13)14;2*1-17(2)13-9-5-7-11-15(13)18(3,4)16-12-8-6-10-14(16)17;1-2-9-18-17-8-7-15-10-13-5-3-4-6-14(13)11-16(15)12-17;4*1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;10*1-2-8-10-9-6-4-3-5-7-9/h1,3-9,11-12H,10H2;2*5-12H,1-4H3;1,3-8,10-12H,9H2;4*3-10H,1-2H3;10*1,3-7H,8H2.
What are the key properties of tetrakis(9,9-dimethylfluorene);2-prop-2-ynoxyanthracene;decakis(prop-2-ynoxybenzene);2-prop-2-ynoxypyrene;bis(9,9,10,10-tetramethylanthracene)?
tetrakis(9,9-dimethylfluorene);2-prop-2-ynoxyanthracene;decakis(prop-2-ynoxybenzene);2-prop-2-ynoxypyrene;bis(9,9,10,10-tetramethylanthracene) has a molecular weight of 3060.03 g/mol, XLogP of 50.86, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(9,9-dimethylfluorene);2-prop-2-ynoxyanthracene;decakis(prop-2-ynoxybenzene);2-prop-2-ynoxypyrene;bis(9,9,10,10-tetramethylanthracene) is sourced from PubChem (CID 161203678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).