5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene

C206H200O22 — CID 159005404

IUPAC5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene
SMILESC=C.C=C.C=C.C=C(C)C(=O)OCCCCCC1(C(CCCC)OC(=O)C(=C)C)c2ccccc2-c2ccc(-c3ccc4ccc5cc(C(C)(C)C)cc6ccc3c4c56)cc21.C=CC(=O)OCCCC1(COC(=O)C=C)c2cc(CCOC(=O)C=C)ccc2-c2ccc(-c3ccc4ccc5cc(C(C)(C)C)cc6ccc3c4c56)cc21.C=CC(=O)OCCCC1(COC(=O)C=C)c2cc(OC(=O)C=C)ccc2-c2ccc(-c3ccc4ccc5cc(C(C)(C)C)cc6ccc3c4c56)cc21.C=CC(=O)OCCCc1ccc(-c2ccc3c(c2)C(CCCOC(=O)C=C)(COC(=O)C=C)c2cc(-c4ccc5ccc6cc(C(C)(C)C)cc7ccc4c5c67)ccc2-3)cc1
InChIInChI=1S/C55H50O6.C51H54O4.C48H44O6.C46H40O6.3C2H4/c1-7-49(56)59-28-10-12-35-13-15-36(16-14-35)38-20-24-44-45-25-21-39(33-48(45)55(47(44)32-38,34-61-51(58)9-3)27-11-29-60-50(57)8-2)43-23-19-37-17-18-40-30-42(54(4,5)6)31-41-22-26-46(43)53(37)52(40)41;1-9-10-18-45(55-49(53)33(4)5)51(27-14-11-15-28-54-48(52)32(2)3)43-17-13-12-16-40(43)41-25-22-35(31-44(41)51)39-24-21-34-19-20-36-29-38(50(6,7)8)30-37-23-26-42(39)47(34)46(36)37;1-7-42(49)52-23-10-22-48(29-54-44(51)9-3)40-25-30(21-24-53-43(50)8-2)11-17-37(40)38-19-15-32(28-41(38)48)36-18-14-31-12-13-33-26-35(47(4,5)6)27-34-16-20-39(36)46(31)45(33)34;1-7-40(47)50-22-10-21-46(27-51-41(48)8-2)38-25-29(14-18-35(38)36-20-16-33(26-39(36)46)52-42(49)9-3)34-17-13-28-11-12-30-23-32(45(4,5)6)24-31-15-19-37(34)44(28)43(30)31;3*1-2/h7-9,13-26,30-33H,1-3,10-12,27-29,34H2,4-6H3;12-13,16-17,19-26,29-31,45H,2,4,9-11,14-15,18,27-28H2,1,3,5-8H3;7-9,11-20,25-28H,1-3,10,21-24,29H2,4-6H3;7-9,11-20,23-26H,1-3,10,21-22,27H2,4-6H3;3*1-2H2
InChIKeyJRVXUBBYNJCUDQ-UHFFFAOYSA-N
MW3027.84 g/mol
LogP48.43
Rot. Bonds53

About 5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene

5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene (PubChem CID 159005404) has the molecular formula C206H200O22 and a molecular weight of 3027.84 g/mol. Its IUPAC name is 5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene.

Molecular Properties

Compound Name5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene
PubChem CID159005404
Molecular FormulaC206H200O22
Molecular Weight3027.84 g/mol
Exact Mass3025.45
IUPAC Name5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene
SMILESC=C.C=C.C=C.C=C(C)C(=O)OCCCCCC1(C(CCCC)OC(=O)C(=C)C)c2ccccc2-c2ccc(-c3ccc4ccc5cc(C(C)(C)C)cc6ccc3c4c56)cc21.C=CC(=O)OCCCC1(COC(=O)C=C)c2cc(CCOC(=O)C=C)ccc2-c2ccc(-c3ccc4ccc5cc(C(C)(C)C)cc6ccc3c4c56)cc21.C=CC(=O)OCCCC1(COC(=O)C=C)c2cc(OC(=O)C=C)ccc2-c2ccc(-c3ccc4ccc5cc(C(C)(C)C)cc6ccc3c4c56)cc21.C=CC(=O)OCCCc1ccc(-c2ccc3c(c2)C(CCCOC(=O)C=C)(COC(=O)C=C)c2cc(-c4ccc5ccc6cc(C(C)(C)C)cc7ccc4c5c67)ccc2-3)cc1
InChIInChI=1S/C55H50O6.C51H54O4.C48H44O6.C46H40O6.3C2H4/c1-7-49(56)59-28-10-12-35-13-15-36(16-14-35)38-20-24-44-45-25-21-39(33-48(45)55(47(44)32-38,34-61-51(58)9-3)27-11-29-60-50(57)8-2)43-23-19-37-17-18-40-30-42(54(4,5)6)31-41-22-26-46(43)53(37)52(40)41;1-9-10-18-45(55-49(53)33(4)5)51(27-14-11-15-28-54-48(52)32(2)3)43-17-13-12-16-40(43)41-25-22-35(31-44(41)51)39-24-21-34-19-20-36-29-38(50(6,7)8)30-37-23-26-42(39)47(34)46(36)37;1-7-42(49)52-23-10-22-48(29-54-44(51)9-3)40-25-30(21-24-53-43(50)8-2)11-17-37(40)38-19-15-32(28-41(38)48)36-18-14-31-12-13-33-26-35(47(4,5)6)27-34-16-20-39(36)46(31)45(33)34;1-7-40(47)50-22-10-21-46(27-51-41(48)8-2)38-25-29(14-18-35(38)36-20-16-33(26-39(36)46)52-42(49)9-3)34-17-13-28-11-12-30-23-32(45(4,5)6)24-31-15-19-37(34)44(28)43(30)31;3*1-2/h7-9,13-26,30-33H,1-3,10-12,27-29,34H2,4-6H3;12-13,16-17,19-26,29-31,45H,2,4,9-11,14-15,18,27-28H2,1,3,5-8H3;7-9,11-20,25-28H,1-3,10,21-24,29H2,4-6H3;7-9,11-20,23-26H,1-3,10,21-22,27H2,4-6H3;3*1-2H2
InChIKeyJRVXUBBYNJCUDQ-UHFFFAOYSA-N
XLogP48.43
TPSA289.30 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds53
Heavy Atoms228
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003027.84
LogP ≤ 548.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene 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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene?
The IUPAC name of 5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene (CID 159005404) is 5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene.
What is the SMILES notation for 5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene?
The canonical SMILES for 5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene is C=C.C=C.C=C.C=C(C)C(=O)OCCCCCC1(C(CCCC)OC(=O)C(=C)C)c2ccccc2-c2ccc(-c3ccc4ccc5cc(C(C)(C)C)cc6ccc3c4c56)cc21.C=CC(=O)OCCCC1(COC(=O)C=C)c2cc(CCOC(=O)C=C)ccc2-c2ccc(-c3ccc4ccc5cc(C(C)(C)C)cc6ccc3c4c56)cc21.C=CC(=O)OCCCC1(COC(=O)C=C)c2cc(OC(=O)C=C)ccc2-c2ccc(-c3ccc4ccc5cc(C(C)(C)C)cc6ccc3c4c56)cc21.C=CC(=O)OCCCc1ccc(-c2ccc3c(c2)C(CCCOC(=O)C=C)(COC(=O)C=C)c2cc(-c4ccc5ccc6cc(C(C)(C)C)cc7ccc4c5c67)ccc2-3)cc1.
What is the InChIKey of 5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene?
The InChIKey is JRVXUBBYNJCUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H50O6.C51H54O4.C48H44O6.C46H40O6.3C2H4/c1-7-49(56)59-28-10-12-35-13-15-36(16-14-35)38-20-24-44-45-25-21-39(33-48(45)55(47(44)32-38,34-61-51(58)9-3)27-11-29-60-50(57)8-2)43-23-19-37-17-18-40-30-42(54(4,5)6)31-41-22-26-46(43)53(37)52(40)41;1-9-10-18-45(55-49(53)33(4)5)51(27-14-11-15-28-54-48(52)32(2)3)43-17-13-12-16-40(43)41-25-22-35(31-44(41)51)39-24-21-34-19-20-36-29-38(50(6,7)8)30-37-23-26-42(39)47(34)46(36)37;1-7-42(49)52-23-10-22-48(29-54-44(51)9-3)40-25-30(21-24-53-43(50)8-2)11-17-37(40)38-19-15-32(28-41(38)48)36-18-14-31-12-13-33-26-35(47(4,5)6)27-34-16-20-39(36)46(31)45(33)34;1-7-40(47)50-22-10-21-46(27-51-41(48)8-2)38-25-29(14-18-35(38)36-20-16-33(26-39(36)46)52-42(49)9-3)34-17-13-28-11-12-30-23-32(45(4,5)6)24-31-15-19-37(34)44(28)43(30)31;3*1-2/h7-9,13-26,30-33H,1-3,10-12,27-29,34H2,4-6H3;12-13,16-17,19-26,29-31,45H,2,4,9-11,14-15,18,27-28H2,1,3,5-8H3;7-9,11-20,25-28H,1-3,10,21-24,29H2,4-6H3;7-9,11-20,23-26H,1-3,10,21-22,27H2,4-6H3;3*1-2H2.
What are the key properties of 5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene?
5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene has a molecular weight of 3027.84 g/mol, XLogP of 48.43, 53 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(7-tert-butylpyren-1-yl)-9-[1-(2-methylprop-2-enoyloxy)pentyl]fluoren-9-yl]pentyl 2-methylprop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-(2-prop-2-enoyloxyethyl)-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;3-[4-[7-(7-tert-butylpyren-1-yl)-9-(prop-2-enoyloxymethyl)-9-(3-prop-2-enoyloxypropyl)fluoren-2-yl]phenyl]propyl prop-2-enoate;3-[2-(7-tert-butylpyren-1-yl)-7-prop-2-enoyloxy-9-(prop-2-enoyloxymethyl)fluoren-9-yl]propyl prop-2-enoate;ethene is sourced from PubChem (CID 159005404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).