9,10-bis[2,2-bis(4-methylphenyl)ethenyl]anthracene;1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]benzene;1-[2,2-bis(4-phenylphenyl)ethenyl]-4-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]benzene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyridine;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione

C309H234N14O5 — CID 157270734

IUPAC9,10-bis[2,2-bis(4-methylphenyl)ethenyl]anthracene;1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]benzene;1-[2,2-bis(4-phenylphenyl)ethenyl]-4-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]benzene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyridine;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione
SMILESC(=C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(C=C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.C(=Cc1ccc(C=Cc2ccc(-c3ccccc3)cc2)nc1)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c3)o2)cc1.Cc1ccc(C(=Cc2c3ccccc3c(C=C(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)c2ccc(C)cc2)cc1.Cc1ccc(C(=Cc2ccc(-c3ccc(C=C(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)c2ccc(C)cc2)cc1.O=c1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c2nc3ccccc3n12)c46)c(=O)n1c2ccccc2nc51.O=c1c2cccc3cccc(c32)c2nc3c4ccccc4c4ccccc4c3n12
InChIInChI=1S/C64H46.C46H38.C44H38.C36H16N4O2.C33H25N.C30H30N4O2.C30H27N3.C26H14N2O/c1-5-13-49(14-6-1)55-29-37-59(38-30-55)63(60-39-31-56(32-40-60)50-15-7-2-8-16-50)45-47-21-25-53(26-22-47)54-27-23-48(24-28-54)46-64(61-41-33-57(34-42-61)51-17-9-3-10-18-51)62-43-35-58(36-44-62)52-19-11-4-12-20-52;1-31-13-21-35(22-14-31)43(36-23-15-32(2)16-24-36)29-45-39-9-5-7-11-41(39)46(42-12-8-6-10-40(42)45)30-44(37-25-17-33(3)18-26-37)38-27-19-34(4)20-28-38;1-31-5-17-39(18-6-31)43(40-19-7-32(2)8-20-40)29-35-13-25-37(26-14-35)38-27-15-36(16-28-38)30-44(41-21-9-33(3)10-22-41)42-23-11-34(4)12-24-42;41-35-23-15-11-19-18-10-14-22-32-24(36(42)40-28-8-4-2-6-26(28)38-34(22)40)16-12-20(30(18)32)17-9-13-21(31(23)29(17)19)33-37-25-5-1-3-7-27(25)39(33)35;1-3-7-29(8-4-1)31-19-13-26(14-20-31)11-12-28-18-24-33(34-25-28)23-17-27-15-21-32(22-16-27)30-9-5-2-6-10-30;1-29(2,3)23-14-10-19(11-15-23)25-31-33-27(35-25)21-8-7-9-22(18-21)28-34-32-26(36-28)20-12-16-24(17-13-20)30(4,5)6;1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22;29-26-21-14-6-8-15-7-5-13-20(22(15)21)25-27-23-18-11-3-1-9-16(18)17-10-2-4-12-19(17)24(23)28(25)26/h1-46H;5-30H,1-4H3;5-30H,1-4H3;1-16H;1-25H;7-18H,1-6H3;4-21H,1-3H3;1-14H
InChIKeyAYMRPDFSWUTKSZ-UHFFFAOYSA-N
MW4223.36 g/mol
LogP78.55
Rot. Bonds38

About 9,10-bis[2,2-bis(4-methylphenyl)ethenyl]anthracene;1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]benzene;1-[2,2-bis(4-phenylphenyl)ethenyl]-4-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]benzene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyridine;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione

9,10-bis[2,2-bis(4-methylphenyl)ethenyl]anthracene;1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]benzene;1-[2,2-bis(4-phenylphenyl)ethenyl]-4-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]benzene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyridine;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione (PubChem CID 157270734) has the molecular formula C309H234N14O5 and a molecular weight of 4223.36 g/mol. Its IUPAC name is 9,10-bis[2,2-bis(4-methylphenyl)ethenyl]anthracene;1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]benzene;1-[2,2-bis(4-phenylphenyl)ethenyl]-4-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]benzene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyridine;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione.

Molecular Properties

Compound Name9,10-bis[2,2-bis(4-methylphenyl)ethenyl]anthracene;1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]benzene;1-[2,2-bis(4-phenylphenyl)ethenyl]-4-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]benzene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyridine;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione
PubChem CID157270734
Molecular FormulaC309H234N14O5
Molecular Weight4223.36 g/mol
Exact Mass4219.85
IUPAC Name9,10-bis[2,2-bis(4-methylphenyl)ethenyl]anthracene;1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]benzene;1-[2,2-bis(4-phenylphenyl)ethenyl]-4-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]benzene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyridine;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione
SMILESC(=C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(C=C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.C(=Cc1ccc(C=Cc2ccc(-c3ccccc3)cc2)nc1)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c3)o2)cc1.Cc1ccc(C(=Cc2c3ccccc3c(C=C(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)c2ccc(C)cc2)cc1.Cc1ccc(C(=Cc2ccc(-c3ccc(C=C(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)c2ccc(C)cc2)cc1.O=c1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c2nc3ccccc3n12)c46)c(=O)n1c2ccccc2nc51.O=c1c2cccc3cccc(c32)c2nc3c4ccccc4c4ccccc4c3n12
InChIInChI=1S/C64H46.C46H38.C44H38.C36H16N4O2.C33H25N.C30H30N4O2.C30H27N3.C26H14N2O/c1-5-13-49(14-6-1)55-29-37-59(38-30-55)63(60-39-31-56(32-40-60)50-15-7-2-8-16-50)45-47-21-25-53(26-22-47)54-27-23-48(24-28-54)46-64(61-41-33-57(34-42-61)51-17-9-3-10-18-51)62-43-35-58(36-44-62)52-19-11-4-12-20-52;1-31-13-21-35(22-14-31)43(36-23-15-32(2)16-24-36)29-45-39-9-5-7-11-41(39)46(42-12-8-6-10-40(42)45)30-44(37-25-17-33(3)18-26-37)38-27-19-34(4)20-28-38;1-31-5-17-39(18-6-31)43(40-19-7-32(2)8-20-40)29-35-13-25-37(26-14-35)38-27-15-36(16-28-38)30-44(41-21-9-33(3)10-22-41)42-23-11-34(4)12-24-42;41-35-23-15-11-19-18-10-14-22-32-24(36(42)40-28-8-4-2-6-26(28)38-34(22)40)16-12-20(30(18)32)17-9-13-21(31(23)29(17)19)33-37-25-5-1-3-7-27(25)39(33)35;1-3-7-29(8-4-1)31-19-13-26(14-20-31)11-12-28-18-24-33(34-25-28)23-17-27-15-21-32(22-16-27)30-9-5-2-6-10-30;1-29(2,3)23-14-10-19(11-15-23)25-31-33-27(35-25)21-8-7-9-22(18-21)28-34-32-26(36-28)20-12-16-24(17-13-20)30(4,5)6;1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22;29-26-21-14-6-8-15-7-5-13-20(22(15)21)25-27-23-18-11-3-1-9-16(18)17-10-2-4-12-19(17)24(23)28(25)26/h1-46H;5-30H,1-4H3;5-30H,1-4H3;1-16H;1-25H;7-18H,1-6H3;4-21H,1-3H3;1-14H
InChIKeyAYMRPDFSWUTKSZ-UHFFFAOYSA-N
XLogP78.55
TPSA224.55 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds38
Heavy Atoms328
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004223.36
LogP ≤ 578.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 9,10-bis[2,2-bis(4-methylphenyl)ethenyl]anthracene;1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]benzene;1-[2,2-bis(4-phenylphenyl)ethenyl]-4-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]benzene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyridine;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,10-bis[2,2-bis(4-methylphenyl)ethenyl]anthracene;1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]benzene;1-[2,2-bis(4-phenylphenyl)ethenyl]-4-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]benzene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyridine;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione?
The IUPAC name of 9,10-bis[2,2-bis(4-methylphenyl)ethenyl]anthracene;1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]benzene;1-[2,2-bis(4-phenylphenyl)ethenyl]-4-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]benzene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyridine;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione (CID 157270734) is 9,10-bis[2,2-bis(4-methylphenyl)ethenyl]anthracene;1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]benzene;1-[2,2-bis(4-phenylphenyl)ethenyl]-4-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]benzene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyridine;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione.
What is the SMILES notation for 9,10-bis[2,2-bis(4-methylphenyl)ethenyl]anthracene;1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]benzene;1-[2,2-bis(4-phenylphenyl)ethenyl]-4-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]benzene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyridine;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione?
The canonical SMILES for 9,10-bis[2,2-bis(4-methylphenyl)ethenyl]anthracene;1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]benzene;1-[2,2-bis(4-phenylphenyl)ethenyl]-4-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]benzene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyridine;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione is C(=C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(C=C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.C(=Cc1ccc(C=Cc2ccc(-c3ccccc3)cc2)nc1)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c3)o2)cc1.Cc1ccc(C(=Cc2c3ccccc3c(C=C(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)c2ccc(C)cc2)cc1.Cc1ccc(C(=Cc2ccc(-c3ccc(C=C(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)c2ccc(C)cc2)cc1.O=c1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c2nc3ccccc3n12)c46)c(=O)n1c2ccccc2nc51.O=c1c2cccc3cccc(c32)c2nc3c4ccccc4c4ccccc4c3n12.
What is the InChIKey of 9,10-bis[2,2-bis(4-methylphenyl)ethenyl]anthracene;1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]benzene;1-[2,2-bis(4-phenylphenyl)ethenyl]-4-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]benzene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyridine;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione?
The InChIKey is AYMRPDFSWUTKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46.C46H38.C44H38.C36H16N4O2.C33H25N.C30H30N4O2.C30H27N3.C26H14N2O/c1-5-13-49(14-6-1)55-29-37-59(38-30-55)63(60-39-31-56(32-40-60)50-15-7-2-8-16-50)45-47-21-25-53(26-22-47)54-27-23-48(24-28-54)46-64(61-41-33-57(34-42-61)51-17-9-3-10-18-51)62-43-35-58(36-44-62)52-19-11-4-12-20-52;1-31-13-21-35(22-14-31)43(36-23-15-32(2)16-24-36)29-45-39-9-5-7-11-41(39)46(42-12-8-6-10-40(42)45)30-44(37-25-17-33(3)18-26-37)38-27-19-34(4)20-28-38;1-31-5-17-39(18-6-31)43(40-19-7-32(2)8-20-40)29-35-13-25-37(26-14-35)38-27-15-36(16-28-38)30-44(41-21-9-33(3)10-22-41)42-23-11-34(4)12-24-42;41-35-23-15-11-19-18-10-14-22-32-24(36(42)40-28-8-4-2-6-26(28)38-34(22)40)16-12-20(30(18)32)17-9-13-21(31(23)29(17)19)33-37-25-5-1-3-7-27(25)39(33)35;1-3-7-29(8-4-1)31-19-13-26(14-20-31)11-12-28-18-24-33(34-25-28)23-17-27-15-21-32(22-16-27)30-9-5-2-6-10-30;1-29(2,3)23-14-10-19(11-15-23)25-31-33-27(35-25)21-8-7-9-22(18-21)28-34-32-26(36-28)20-12-16-24(17-13-20)30(4,5)6;1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22;29-26-21-14-6-8-15-7-5-13-20(22(15)21)25-27-23-18-11-3-1-9-16(18)17-10-2-4-12-19(17)24(23)28(25)26/h1-46H;5-30H,1-4H3;5-30H,1-4H3;1-16H;1-25H;7-18H,1-6H3;4-21H,1-3H3;1-14H.
What are the key properties of 9,10-bis[2,2-bis(4-methylphenyl)ethenyl]anthracene;1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]benzene;1-[2,2-bis(4-phenylphenyl)ethenyl]-4-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]benzene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyridine;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione?
9,10-bis[2,2-bis(4-methylphenyl)ethenyl]anthracene;1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]benzene;1-[2,2-bis(4-phenylphenyl)ethenyl]-4-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]benzene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyridine;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione has a molecular weight of 4223.36 g/mol, XLogP of 78.55, 38 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[2,2-bis(4-methylphenyl)ethenyl]anthracene;1-[2,2-bis(4-methylphenyl)ethenyl]-4-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]benzene;1-[2,2-bis(4-phenylphenyl)ethenyl]-4-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]benzene;2,5-bis[2-(4-phenylphenyl)ethenyl]pyridine;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3,18-diazaheptacyclo[18.7.1.02,18.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5,7,9,11,13,15,20,22,24(28),25-tridecaen-19-one;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione is sourced from PubChem (CID 157270734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).