About 10,31-bis(2,4-dimethylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctylundecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaene;4-[4-[31-(4-dibenzofuran-4-ylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl]phenyl]dibenzofuran;2-(7,7,28,28-tetramethyl-31-naphtho[2,3-b][1]benzofuran-2-yl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)naphtho[2,3-b][1]benzofuran
10,31-bis(2,4-dimethylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctylundecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaene;4-[4-[31-(4-dibenzofuran-4-ylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl]phenyl]dibenzofuran;2-(7,7,28,28-tetramethyl-31-naphtho[2,3-b][1]benzofuran-2-yl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)naphtho[2,3-b][1]benzofuran (PubChem CID 157079493) has the molecular formula C318H346O4
and a molecular weight of 4232.26 g/mol. Its IUPAC name is 10,31-bis(2,4-dimethylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctylundecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaene;4-[4-[31-(4-dibenzofuran-4-ylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl]phenyl]dibenzofuran;2-(7,7,28,28-tetramethyl-31-naphtho[2,3-b][1]benzofuran-2-yl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)naphtho[2,3-b][1]benzofuran.
Frequently Asked Questions
What is the IUPAC name of 10,31-bis(2,4-dimethylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctylundecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaene;4-[4-[31-(4-dibenzofuran-4-ylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl]phenyl]dibenzofuran;2-(7,7,28,28-tetramethyl-31-naphtho[2,3-b][1]benzofuran-2-yl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 10,31-bis(2,4-dimethylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctylundecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaene;4-[4-[31-(4-dibenzofuran-4-ylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl]phenyl]dibenzofuran;2-(7,7,28,28-tetramethyl-31-naphtho[2,3-b][1]benzofuran-2-yl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)naphtho[2,3-b][1]benzofuran (CID 157079493) is 10,31-bis(2,4-dimethylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctylundecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaene;4-[4-[31-(4-dibenzofuran-4-ylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl]phenyl]dibenzofuran;2-(7,7,28,28-tetramethyl-31-naphtho[2,3-b][1]benzofuran-2-yl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 10,31-bis(2,4-dimethylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctylundecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaene;4-[4-[31-(4-dibenzofuran-4-ylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl]phenyl]dibenzofuran;2-(7,7,28,28-tetramethyl-31-naphtho[2,3-b][1]benzofuran-2-yl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 10,31-bis(2,4-dimethylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctylundecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaene;4-[4-[31-(4-dibenzofuran-4-ylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl]phenyl]dibenzofuran;2-(7,7,28,28-tetramethyl-31-naphtho[2,3-b][1]benzofuran-2-yl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)naphtho[2,3-b][1]benzofuran is CCCCCCCCC1(CCCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1cc2c(cc1C4(CCCCCCCC)CCCCCCCC)-c1c(cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc14)C2(C)C)C(C)(C)c1cc(-c2ccc(-c4cccc5c4oc4ccccc45)cc2)c2ccccc2c1-3.CCCCCCCCC1(CCCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1cc2c(cc1C4(CCCCCCCC)CCCCCCCC)-c1c(cc(-c4ccc(C)cc4C)c4ccccc14)C2(C)C)C(C)(C)c1cc(-c2ccc(C)cc2C)c2ccccc2c1-3.CCCCCCCCC1(CCCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1cc2c(cc1C4(CCCCCCCC)CCCCCCCC)-c1c(cc(-c4ccc5oc6cc7ccccc7cc6c5c4)c4ccccc14)C2(C)C)C(C)(C)c1cc(-c2ccc4oc5cc6ccccc6cc5c4c2)c2ccccc2c1-3.
What is the InChIKey of 10,31-bis(2,4-dimethylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctylundecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaene;4-[4-[31-(4-dibenzofuran-4-ylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl]phenyl]dibenzofuran;2-(7,7,28,28-tetramethyl-31-naphtho[2,3-b][1]benzofuran-2-yl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)naphtho[2,3-b][1]benzofuran?
The InChIKey is ADJCRHXKBYSWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H118O2.C110H114O2.C94H114/c1-9-13-17-21-25-37-63-113(64-38-26-22-18-14-10-2)99-71-94-92-70-98-96(108-86-48-32-30-44-82(86)90(68-104(108)112(98,7)8)78-61-57-76(58-62-78)80-50-42-52-88-84-46-34-36-54-106(84)116-110(80)88)74-102(92)114(65-39-27-23-19-15-11-3,66-40-28-24-20-16-12-4)100(94)72-93(99)91-69-97-95(73-101(91)113)107-85-47-31-29-43-81(85)89(67-103(107)111(97,5)6)77-59-55-75(56-60-77)79-49-41-51-87-83-45-33-35-53-105(83)115-109(79)87;1-9-13-17-21-25-37-53-109(54-38-26-22-18-14-10-2)95-67-86-84-66-94-92(106-80-48-36-34-46-78(80)82(64-100(106)108(94,7)8)76-50-52-102-88(60-76)90-58-72-42-30-32-44-74(72)62-104(90)112-102)70-98(84)110(55-39-27-23-19-15-11-3,56-40-28-24-20-16-12-4)96(86)68-85(95)83-65-93-91(69-97(83)109)105-79-47-35-33-45-77(79)81(63-99(105)107(93,5)6)75-49-51-101-87(59-75)89-57-71-41-29-31-43-73(71)61-103(89)111-101;1-13-17-21-25-29-37-49-93(50-38-30-26-22-18-14-2)83-59-78-76-58-82-80(90-72-44-36-34-42-70(72)74(56-88(90)92(82,11)12)68-48-46-64(6)54-66(68)8)62-86(76)94(51-39-31-27-23-19-15-3,52-40-32-28-24-20-16-4)84(78)60-77(83)75-57-81-79(61-85(75)93)89-71-43-35-33-41-69(71)73(55-87(89)91(81,9)10)67-47-45-63(5)53-65(67)7/h29-36,41-62,67-74H,9-28,37-40,63-66H2,1-8H3;29-36,41-52,57-70H,9-28,37-40,53-56H2,1-8H3;33-36,41-48,53-62H,13-32,37-40,49-52H2,1-12H3.
What are the key properties of 10,31-bis(2,4-dimethylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctylundecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaene;4-[4-[31-(4-dibenzofuran-4-ylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl]phenyl]dibenzofuran;2-(7,7,28,28-tetramethyl-31-naphtho[2,3-b][1]benzofuran-2-yl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)naphtho[2,3-b][1]benzofuran?
10,31-bis(2,4-dimethylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctylundecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaene;4-[4-[31-(4-dibenzofuran-4-ylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl]phenyl]dibenzofuran;2-(7,7,28,28-tetramethyl-31-naphtho[2,3-b][1]benzofuran-2-yl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)naphtho[2,3-b][1]benzofuran has a molecular weight of 4232.26 g/mol, XLogP of 96.90, 92 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,31-bis(2,4-dimethylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctylundecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaene;4-[4-[31-(4-dibenzofuran-4-ylphenyl)-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl]phenyl]dibenzofuran;2-(7,7,28,28-tetramethyl-31-naphtho[2,3-b][1]benzofuran-2-yl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 157079493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).