3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene

C463H476 — CID 158031871

IUPAC3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene
SMILESCCCCCCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccc(CCCCCCCCCCCCCC)cc4ccc23)c1.CCCCCCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.Cc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1
InChIInChI=1S/C50H70.C36H42.C35H40.C34H38.C33H36.C32H34.C31H32.C30H30.C29H28.C28H26.C27H24.C26H22.C25H20.C24H18.C23H16/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-29-33-45-43(39-41)31-35-49-47(45)37-38-48-46-34-30-42(40-44(46)32-36-50(48)49)28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-16-28-19-22-32-30(27-28)21-24-36-34(32)26-25-33-31-18-15-14-17-29(31)20-23-35(33)36;1-2-3-4-5-6-7-8-9-10-11-12-15-27-18-21-31-29(26-27)20-23-35-33(31)25-24-32-30-17-14-13-16-28(30)19-22-34(32)35;1-2-3-4-5-6-7-8-9-10-11-14-26-17-20-30-28(25-26)19-22-34-32(30)24-23-31-29-16-13-12-15-27(29)18-21-33(31)34;1-2-3-4-5-6-7-8-9-10-13-25-16-19-29-27(24-25)18-21-33-31(29)23-22-30-28-15-12-11-14-26(28)17-20-32(30)33;1-2-3-4-5-6-7-8-9-12-24-15-18-28-26(23-24)17-20-32-30(28)22-21-29-27-14-11-10-13-25(27)16-19-31(29)32;1-2-3-4-5-6-7-8-11-23-14-17-27-25(22-23)16-19-31-29(27)21-20-28-26-13-10-9-12-24(26)15-18-30(28)31;1-2-3-4-5-6-7-10-22-13-16-26-24(21-22)15-18-30-28(26)20-19-27-25-12-9-8-11-23(25)14-17-29(27)30;1-2-3-4-5-6-9-21-12-15-25-23(20-21)14-17-29-27(25)19-18-26-24-11-8-7-10-22(24)13-16-28(26)29;1-2-3-4-5-8-20-11-14-24-22(19-20)13-16-28-26(24)18-17-25-23-10-7-6-9-21(23)12-15-27(25)28;1-2-3-4-7-19-10-13-23-21(18-19)12-15-27-25(23)17-16-24-22-9-6-5-8-20(22)11-14-26(24)27;1-2-3-6-18-9-12-22-20(17-18)11-14-26-24(22)16-15-23-21-8-5-4-7-19(21)10-13-25(23)26;1-2-5-17-8-11-21-19(16-17)10-13-25-23(21)15-14-22-20-7-4-3-6-18(20)9-12-24(22)25;1-2-16-7-10-20-18(15-16)9-12-24-22(20)14-13-21-19-6-4-3-5-17(19)8-11-23(21)24;1-15-6-9-19-17(14-15)8-11-23-21(19)13-12-20-18-5-3-2-4-16(18)7-10-22(20)23/h29-40H,3-28H2,1-2H3;14-15,17-27H,2-13,16H2,1H3;13-14,16-26H,2-12,15H2,1H3;12-13,15-25H,2-11,14H2,1H3;11-12,14-24H,2-10,13H2,1H3;10-11,13-23H,2-9,12H2,1H3;9-10,12-22H,2-8,11H2,1H3;8-9,11-21H,2-7,10H2,1H3;7-8,10-20H,2-6,9H2,1H3;6-7,9-19H,2-5,8H2,1H3;5-6,8-18H,2-4,7H2,1H3;4-5,7-17H,2-3,6H2,1H3;3-4,6-16H,2,5H2,1H3;3-15H,2H2,1H3;2-14H,1H3
InChIKeyFHGUINNFGPCSJD-UHFFFAOYSA-N
MW6040.90 g/mol
LogP143.03
Rot. Bonds117

About 3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene

3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene (PubChem CID 158031871) has the molecular formula C463H476 and a molecular weight of 6040.90 g/mol. Its IUPAC name is 3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene.

Molecular Properties

Compound Name3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene
PubChem CID158031871
Molecular FormulaC463H476
Molecular Weight6040.90 g/mol
Exact Mass6035.72
IUPAC Name3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene
SMILESCCCCCCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccc(CCCCCCCCCCCCCC)cc4ccc23)c1.CCCCCCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.Cc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1
InChIInChI=1S/C50H70.C36H42.C35H40.C34H38.C33H36.C32H34.C31H32.C30H30.C29H28.C28H26.C27H24.C26H22.C25H20.C24H18.C23H16/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-29-33-45-43(39-41)31-35-49-47(45)37-38-48-46-34-30-42(40-44(46)32-36-50(48)49)28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-16-28-19-22-32-30(27-28)21-24-36-34(32)26-25-33-31-18-15-14-17-29(31)20-23-35(33)36;1-2-3-4-5-6-7-8-9-10-11-12-15-27-18-21-31-29(26-27)20-23-35-33(31)25-24-32-30-17-14-13-16-28(30)19-22-34(32)35;1-2-3-4-5-6-7-8-9-10-11-14-26-17-20-30-28(25-26)19-22-34-32(30)24-23-31-29-16-13-12-15-27(29)18-21-33(31)34;1-2-3-4-5-6-7-8-9-10-13-25-16-19-29-27(24-25)18-21-33-31(29)23-22-30-28-15-12-11-14-26(28)17-20-32(30)33;1-2-3-4-5-6-7-8-9-12-24-15-18-28-26(23-24)17-20-32-30(28)22-21-29-27-14-11-10-13-25(27)16-19-31(29)32;1-2-3-4-5-6-7-8-11-23-14-17-27-25(22-23)16-19-31-29(27)21-20-28-26-13-10-9-12-24(26)15-18-30(28)31;1-2-3-4-5-6-7-10-22-13-16-26-24(21-22)15-18-30-28(26)20-19-27-25-12-9-8-11-23(25)14-17-29(27)30;1-2-3-4-5-6-9-21-12-15-25-23(20-21)14-17-29-27(25)19-18-26-24-11-8-7-10-22(24)13-16-28(26)29;1-2-3-4-5-8-20-11-14-24-22(19-20)13-16-28-26(24)18-17-25-23-10-7-6-9-21(23)12-15-27(25)28;1-2-3-4-7-19-10-13-23-21(18-19)12-15-27-25(23)17-16-24-22-9-6-5-8-20(22)11-14-26(24)27;1-2-3-6-18-9-12-22-20(17-18)11-14-26-24(22)16-15-23-21-8-5-4-7-19(21)10-13-25(23)26;1-2-5-17-8-11-21-19(16-17)10-13-25-23(21)15-14-22-20-7-4-3-6-18(20)9-12-24(22)25;1-2-16-7-10-20-18(15-16)9-12-24-22(20)14-13-21-19-6-4-3-5-17(19)8-11-23(21)24;1-15-6-9-19-17(14-15)8-11-23-21(19)13-12-20-18-5-3-2-4-16(18)7-10-22(20)23/h29-40H,3-28H2,1-2H3;14-15,17-27H,2-13,16H2,1H3;13-14,16-26H,2-12,15H2,1H3;12-13,15-25H,2-11,14H2,1H3;11-12,14-24H,2-10,13H2,1H3;10-11,13-23H,2-9,12H2,1H3;9-10,12-22H,2-8,11H2,1H3;8-9,11-21H,2-7,10H2,1H3;7-8,10-20H,2-6,9H2,1H3;6-7,9-19H,2-5,8H2,1H3;5-6,8-18H,2-4,7H2,1H3;4-5,7-17H,2-3,6H2,1H3;3-4,6-16H,2,5H2,1H3;3-15H,2H2,1H3;2-14H,1H3
InChIKeyFHGUINNFGPCSJD-UHFFFAOYSA-N
XLogP143.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds117
Heavy Atoms463
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5006040.90
LogP ≤ 5143.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene?
The IUPAC name of 3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene (CID 158031871) is 3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene.
What is the SMILES notation for 3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene?
The canonical SMILES for 3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene is CCCCCCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccc(CCCCCCCCCCCCCC)cc4ccc23)c1.CCCCCCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CCc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.Cc1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.
What is the InChIKey of 3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene?
The InChIKey is FHGUINNFGPCSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H70.C36H42.C35H40.C34H38.C33H36.C32H34.C31H32.C30H30.C29H28.C28H26.C27H24.C26H22.C25H20.C24H18.C23H16/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-29-33-45-43(39-41)31-35-49-47(45)37-38-48-46-34-30-42(40-44(46)32-36-50(48)49)28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-16-28-19-22-32-30(27-28)21-24-36-34(32)26-25-33-31-18-15-14-17-29(31)20-23-35(33)36;1-2-3-4-5-6-7-8-9-10-11-12-15-27-18-21-31-29(26-27)20-23-35-33(31)25-24-32-30-17-14-13-16-28(30)19-22-34(32)35;1-2-3-4-5-6-7-8-9-10-11-14-26-17-20-30-28(25-26)19-22-34-32(30)24-23-31-29-16-13-12-15-27(29)18-21-33(31)34;1-2-3-4-5-6-7-8-9-10-13-25-16-19-29-27(24-25)18-21-33-31(29)23-22-30-28-15-12-11-14-26(28)17-20-32(30)33;1-2-3-4-5-6-7-8-9-12-24-15-18-28-26(23-24)17-20-32-30(28)22-21-29-27-14-11-10-13-25(27)16-19-31(29)32;1-2-3-4-5-6-7-8-11-23-14-17-27-25(22-23)16-19-31-29(27)21-20-28-26-13-10-9-12-24(26)15-18-30(28)31;1-2-3-4-5-6-7-10-22-13-16-26-24(21-22)15-18-30-28(26)20-19-27-25-12-9-8-11-23(25)14-17-29(27)30;1-2-3-4-5-6-9-21-12-15-25-23(20-21)14-17-29-27(25)19-18-26-24-11-8-7-10-22(24)13-16-28(26)29;1-2-3-4-5-8-20-11-14-24-22(19-20)13-16-28-26(24)18-17-25-23-10-7-6-9-21(23)12-15-27(25)28;1-2-3-4-7-19-10-13-23-21(18-19)12-15-27-25(23)17-16-24-22-9-6-5-8-20(22)11-14-26(24)27;1-2-3-6-18-9-12-22-20(17-18)11-14-26-24(22)16-15-23-21-8-5-4-7-19(21)10-13-25(23)26;1-2-5-17-8-11-21-19(16-17)10-13-25-23(21)15-14-22-20-7-4-3-6-18(20)9-12-24(22)25;1-2-16-7-10-20-18(15-16)9-12-24-22(20)14-13-21-19-6-4-3-5-17(19)8-11-23(21)24;1-15-6-9-19-17(14-15)8-11-23-21(19)13-12-20-18-5-3-2-4-16(18)7-10-22(20)23/h29-40H,3-28H2,1-2H3;14-15,17-27H,2-13,16H2,1H3;13-14,16-26H,2-12,15H2,1H3;12-13,15-25H,2-11,14H2,1H3;11-12,14-24H,2-10,13H2,1H3;10-11,13-23H,2-9,12H2,1H3;9-10,12-22H,2-8,11H2,1H3;8-9,11-21H,2-7,10H2,1H3;7-8,10-20H,2-6,9H2,1H3;6-7,9-19H,2-5,8H2,1H3;5-6,8-18H,2-4,7H2,1H3;4-5,7-17H,2-3,6H2,1H3;3-4,6-16H,2,5H2,1H3;3-15H,2H2,1H3;2-14H,1H3.
What are the key properties of 3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene?
3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene has a molecular weight of 6040.90 g/mol, XLogP of 143.03, 117 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene is sourced from PubChem (CID 158031871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).