(11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-propan-2-ylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate

C140H114O12 — CID 158883874

IUPAC(11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-propan-2-ylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate
SMILESC#CC1(OC(=O)C(=C)C)c2ccccc2-c2ccc3ccccc3c21.C=C(C)C(=O)OC1(C(C)C)c2ccccc2-c2c1ccc1ccccc21.C=C(C)C(=O)OC1(C(C)C)c2ccccc2-c2cc3ccccc3cc21.C=CC1(OC(=O)C(=C)C)c2ccccc2-c2c1ccc1ccccc21.C=CC1(OC(=O)C(=C)C)c2ccccc2-c2cc3ccccc3cc21.C=CC1(OC(=O)C(=C)C)c2ccccc2-c2ccc3ccccc3c21
InChIInChI=1S/2C24H22O2.2C23H18O2.C23H16O2.C23H18O2/c1-15(2)23(25)26-24(16(3)4)21-12-8-7-11-19(21)20-13-17-9-5-6-10-18(17)14-22(20)24;1-15(2)23(25)26-24(16(3)4)20-12-8-7-11-19(20)22-18-10-6-5-9-17(18)13-14-21(22)24;1-4-23(25-22(24)15(2)3)20-12-8-7-11-18(20)19-13-16-9-5-6-10-17(16)14-21(19)23;2*1-4-23(25-22(24)15(2)3)20-12-8-7-11-18(20)19-14-13-16-9-5-6-10-17(16)21(19)23;1-4-23(25-22(24)15(2)3)19-12-8-7-11-18(19)21-17-10-6-5-9-16(17)13-14-20(21)23/h2*5-14,16H,1H2,2-4H3;2*4-14H,1-2H2,3H3;1,5-14H,2H2,3H3;4-14H,1-2H2,3H3
InChIKeyJDJGFYAWBASYTB-UHFFFAOYSA-N
MW1988.44 g/mol
LogP32.60
Rot. Bonds17

About (11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-propan-2-ylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate

(11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-propan-2-ylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate (PubChem CID 158883874) has the molecular formula C140H114O12 and a molecular weight of 1988.44 g/mol. Its IUPAC name is (11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-propan-2-ylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-propan-2-ylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate
PubChem CID158883874
Molecular FormulaC140H114O12
Molecular Weight1988.44 g/mol
Exact Mass1986.83
IUPAC Name(11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-propan-2-ylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate
SMILESC#CC1(OC(=O)C(=C)C)c2ccccc2-c2ccc3ccccc3c21.C=C(C)C(=O)OC1(C(C)C)c2ccccc2-c2c1ccc1ccccc21.C=C(C)C(=O)OC1(C(C)C)c2ccccc2-c2cc3ccccc3cc21.C=CC1(OC(=O)C(=C)C)c2ccccc2-c2c1ccc1ccccc21.C=CC1(OC(=O)C(=C)C)c2ccccc2-c2cc3ccccc3cc21.C=CC1(OC(=O)C(=C)C)c2ccccc2-c2ccc3ccccc3c21
InChIInChI=1S/2C24H22O2.2C23H18O2.C23H16O2.C23H18O2/c1-15(2)23(25)26-24(16(3)4)21-12-8-7-11-19(21)20-13-17-9-5-6-10-18(17)14-22(20)24;1-15(2)23(25)26-24(16(3)4)20-12-8-7-11-19(20)22-18-10-6-5-9-17(18)13-14-21(22)24;1-4-23(25-22(24)15(2)3)20-12-8-7-11-18(20)19-13-16-9-5-6-10-17(16)14-21(19)23;2*1-4-23(25-22(24)15(2)3)20-12-8-7-11-18(20)19-14-13-16-9-5-6-10-17(16)21(19)23;1-4-23(25-22(24)15(2)3)19-12-8-7-11-18(19)21-17-10-6-5-9-16(17)13-14-20(21)23/h2*5-14,16H,1H2,2-4H3;2*4-14H,1-2H2,3H3;1,5-14H,2H2,3H3;4-14H,1-2H2,3H3
InChIKeyJDJGFYAWBASYTB-UHFFFAOYSA-N
XLogP32.60
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001988.44
LogP ≤ 532.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-propan-2-ylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate with MolForge

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Related Compounds

(11-cyclopentylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethynylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;[11-[(E)-prop-1-enyl]benzo[a]fluoren-11-yl] 2-methylprop-2-enoate;[11-[(E)-prop-1-enyl]benzo[b]fluoren-11-yl] 2-methylprop-2-enoate;[7-[(E)-prop-1-enyl]benzo[c]fluoren-7-yl] 2-methylprop-2-enoate
CID 157491019
(11-cyclopentylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-cyclopentylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethynylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;[11-[(E)-prop-1-enyl]benzo[a]fluoren-11-yl] 2-methylprop-2-enoate;[11-[(E)-prop-1-enyl]benzo[b]fluoren-11-yl] 2-methylprop-2-enoate;[7-[(E)-prop-1-enyl]benzo[c]fluoren-7-yl] 2-methylprop-2-enoate
CID 159104116
(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate
CID 59476831
(11-ethynylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate
CID 59476795
(11-cyclopentylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-cyclopentylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-cyclopentylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-cyclopropylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-cyclopropylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-cyclopropylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;[11-[(E)-prop-1-enyl]benzo[a]fluoren-11-yl] 2-methylprop-2-enoate;[11-[(E)-prop-1-enyl]benzo[b]fluoren-11-yl] 2-methylprop-2-enoate;[7-[(E)-prop-1-enyl]benzo[c]fluoren-7-yl] 2-methylprop-2-enoate
CID 162234632
[4-[11-(2,2-dimethylpropanoyloxy)-11-ethenylbenzo[a]fluoren-8-yl]-7-ethenylbenzo[c]fluoren-7-yl] 2,2-dimethylpropanoate
CID 130411241
(9-ethenylfluoren-9-yl) 2-methylprop-2-enoate
CID 59476828
11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;8,8-dimethylindeno[1,2-a]anthracene;13,13-dimethylindeno[2,1-a]anthracene;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 159108274
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate
CID 67218834
[6-[12-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl] 2-methylpropanoate
CID 140948291
tris(9-tert-butyl-10-methylanthracene);11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;tetrakis(2,2-dimethylpropane);ethane;2-methylpropane;naphthalene;phenanthrene
CID 165097795

Frequently Asked Questions

What is the IUPAC name of (11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-propan-2-ylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate?
The IUPAC name of (11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-propan-2-ylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate (CID 158883874) is (11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-propan-2-ylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-propan-2-ylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate?
The canonical SMILES for (11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-propan-2-ylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate is C#CC1(OC(=O)C(=C)C)c2ccccc2-c2ccc3ccccc3c21.C=C(C)C(=O)OC1(C(C)C)c2ccccc2-c2c1ccc1ccccc21.C=C(C)C(=O)OC1(C(C)C)c2ccccc2-c2cc3ccccc3cc21.C=CC1(OC(=O)C(=C)C)c2ccccc2-c2c1ccc1ccccc21.C=CC1(OC(=O)C(=C)C)c2ccccc2-c2cc3ccccc3cc21.C=CC1(OC(=O)C(=C)C)c2ccccc2-c2ccc3ccccc3c21.
What is the InChIKey of (11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-propan-2-ylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate?
The InChIKey is JDJGFYAWBASYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22O2.2C23H18O2.C23H16O2.C23H18O2/c1-15(2)23(25)26-24(16(3)4)21-12-8-7-11-19(21)20-13-17-9-5-6-10-18(17)14-22(20)24;1-15(2)23(25)26-24(16(3)4)20-12-8-7-11-19(20)22-18-10-6-5-9-17(18)13-14-21(22)24;1-4-23(25-22(24)15(2)3)20-12-8-7-11-18(20)19-13-16-9-5-6-10-17(16)14-21(19)23;2*1-4-23(25-22(24)15(2)3)20-12-8-7-11-18(20)19-14-13-16-9-5-6-10-17(16)21(19)23;1-4-23(25-22(24)15(2)3)19-12-8-7-11-18(19)21-17-10-6-5-9-16(17)13-14-20(21)23/h2*5-14,16H,1H2,2-4H3;2*4-14H,1-2H2,3H3;1,5-14H,2H2,3H3;4-14H,1-2H2,3H3.
What are the key properties of (11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-propan-2-ylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate?
(11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-propan-2-ylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate has a molecular weight of 1988.44 g/mol, XLogP of 32.60, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (11-ethenylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-ethenylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-ethenylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate;(11-ethynylbenzo[a]fluoren-11-yl) 2-methylprop-2-enoate;(11-propan-2-ylbenzo[b]fluoren-11-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[c]fluoren-7-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 158883874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).