17-tert-butyl-6-(4,6-dihydropyren-1-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-fluoranthen-3-yl-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;7-tert-butyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[16-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzonitrile;3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene;4-naphthalen-2-ylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene

C290H196N2 — CID 157272268

IUPAC17-tert-butyl-6-(4,6-dihydropyren-1-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-fluoranthen-3-yl-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;7-tert-butyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[16-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzonitrile;3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene;4-naphthalen-2-ylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene
SMILESCC(C)(C)c1cc2c3c4c(ccc3c1)C=C1C(C4=CC2)c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2C1(C)C.CC(C)(C)c1cc2c3c4c(ccc3c1)C=C1C(C4=CC2)c2ccc(-c3ccc4c5c6c(ccc35)C=CCC6=CC4)cc2C1(C)C.CC(C)(C)c1ccc2c(c1)c(-c1ccc(-c3ccccc3)cc1)cc1c3cccc4c3c(cc21)-c1ccccc1-4.N#Cc1ccc(-c2cc3c4cc5c(cc4c(-c4ccc(C#N)cc4)cc3c3ccccc23)-c2cccc3cccc-5c23)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc5c(c4)-c4cccc6cccc-5c46)c4cccc-3c24)cc1.c1ccc(-c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ccccc3-6)cc2)cc1.c1ccc2c(c1)-c1cccc3c1c-2cc1c2ccccc2c(-c2ccc4ccccc4c2)cc31
InChIInChI=1S/C48H28.C45H36.C45H38.C42H22N2.C40H30.C36H22.C34H20/c1-3-12-30(13-4-1)44-37-18-7-8-19-38(37)45(31-14-5-2-6-15-31)48-41-27-26-33(35-22-11-23-40(46(35)41)47(44)48)32-24-25-34-36-20-9-16-29-17-10-21-39(43(29)36)42(34)28-32;1-44(2,3)29-21-26-13-14-28-24-39-43(37-18-16-27(22-29)40(26)41(28)37)36-17-15-25(23-38(36)45(39,4)5)30-19-20-35-32-10-7-6-9-31(32)34-12-8-11-33(30)42(34)35;1-44(2,3)32-21-29-11-12-31-24-38-43(36-20-16-30(22-32)40(29)42(31)36)35-19-15-28(23-37(35)45(38,4)5)33-17-13-27-10-9-25-7-6-8-26-14-18-34(33)41(27)39(25)26;43-23-25-11-15-27(16-12-25)34-19-40-36(31-8-2-1-7-30(31)34)20-35(28-17-13-26(24-44)14-18-28)39-21-37-32-9-3-5-29-6-4-10-33(42(29)32)38(37)22-41(39)40;1-40(2,3)28-20-21-31-35(22-28)34(27-18-16-26(17-19-27)25-10-5-4-6-11-25)23-37-33-15-9-14-32-29-12-7-8-13-30(29)38(39(32)33)24-36(31)37;1-2-9-23(10-3-1)24-17-19-25(20-18-24)32-21-34-31-16-8-15-30-26-11-4-7-14-29(26)35(36(30)31)22-33(34)28-13-6-5-12-27(28)32;1-2-9-22-18-23(17-16-21(22)8-1)30-19-32-29-15-7-14-28-24-10-3-6-13-27(24)33(34(28)29)20-31(32)26-12-5-4-11-25(26)30/h1-28H;6-15,17-24,43H,16H2,1-5H3;6,8-9,11-15,17-24,43H,7,10,16H2,1-5H3;1-22H;4-24H,1-3H3;1-22H;1-20H
InChIKeyAYRGTTYLALAEMX-UHFFFAOYSA-N
MW3708.77 g/mol
LogP79.37
Rot. Bonds12

About 17-tert-butyl-6-(4,6-dihydropyren-1-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-fluoranthen-3-yl-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;7-tert-butyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[16-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzonitrile;3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene;4-naphthalen-2-ylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene

17-tert-butyl-6-(4,6-dihydropyren-1-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-fluoranthen-3-yl-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;7-tert-butyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[16-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzonitrile;3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene;4-naphthalen-2-ylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene (PubChem CID 157272268) has the molecular formula C290H196N2 and a molecular weight of 3708.77 g/mol. Its IUPAC name is 17-tert-butyl-6-(4,6-dihydropyren-1-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-fluoranthen-3-yl-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;7-tert-butyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[16-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzonitrile;3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene;4-naphthalen-2-ylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene.

Molecular Properties

Compound Name17-tert-butyl-6-(4,6-dihydropyren-1-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-fluoranthen-3-yl-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;7-tert-butyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[16-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzonitrile;3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene;4-naphthalen-2-ylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene
PubChem CID157272268
Molecular FormulaC290H196N2
Molecular Weight3708.77 g/mol
Exact Mass3705.54
IUPAC Name17-tert-butyl-6-(4,6-dihydropyren-1-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-fluoranthen-3-yl-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;7-tert-butyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[16-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzonitrile;3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene;4-naphthalen-2-ylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene
SMILESCC(C)(C)c1cc2c3c4c(ccc3c1)C=C1C(C4=CC2)c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2C1(C)C.CC(C)(C)c1cc2c3c4c(ccc3c1)C=C1C(C4=CC2)c2ccc(-c3ccc4c5c6c(ccc35)C=CCC6=CC4)cc2C1(C)C.CC(C)(C)c1ccc2c(c1)c(-c1ccc(-c3ccccc3)cc1)cc1c3cccc4c3c(cc21)-c1ccccc1-4.N#Cc1ccc(-c2cc3c4cc5c(cc4c(-c4ccc(C#N)cc4)cc3c3ccccc23)-c2cccc3cccc-5c23)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc5c(c4)-c4cccc6cccc-5c46)c4cccc-3c24)cc1.c1ccc(-c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ccccc3-6)cc2)cc1.c1ccc2c(c1)-c1cccc3c1c-2cc1c2ccccc2c(-c2ccc4ccccc4c2)cc31
InChIInChI=1S/C48H28.C45H36.C45H38.C42H22N2.C40H30.C36H22.C34H20/c1-3-12-30(13-4-1)44-37-18-7-8-19-38(37)45(31-14-5-2-6-15-31)48-41-27-26-33(35-22-11-23-40(46(35)41)47(44)48)32-24-25-34-36-20-9-16-29-17-10-21-39(43(29)36)42(34)28-32;1-44(2,3)29-21-26-13-14-28-24-39-43(37-18-16-27(22-29)40(26)41(28)37)36-17-15-25(23-38(36)45(39,4)5)30-19-20-35-32-10-7-6-9-31(32)34-12-8-11-33(30)42(34)35;1-44(2,3)32-21-29-11-12-31-24-38-43(36-20-16-30(22-32)40(29)42(31)36)35-19-15-28(23-37(35)45(38,4)5)33-17-13-27-10-9-25-7-6-8-26-14-18-34(33)41(27)39(25)26;43-23-25-11-15-27(16-12-25)34-19-40-36(31-8-2-1-7-30(31)34)20-35(28-17-13-26(24-44)14-18-28)39-21-37-32-9-3-5-29-6-4-10-33(42(29)32)38(37)22-41(39)40;1-40(2,3)28-20-21-31-35(22-28)34(27-18-16-26(17-19-27)25-10-5-4-6-11-25)23-37-33-15-9-14-32-29-12-7-8-13-30(29)38(39(32)33)24-36(31)37;1-2-9-23(10-3-1)24-17-19-25(20-18-24)32-21-34-31-16-8-15-30-26-11-4-7-14-29(26)35(36(30)31)22-33(34)28-13-6-5-12-27(28)32;1-2-9-22-18-23(17-16-21(22)8-1)30-19-32-29-15-7-14-28-24-10-3-6-13-27(24)33(34(28)29)20-31(32)26-12-5-4-11-25(26)30/h1-28H;6-15,17-24,43H,16H2,1-5H3;6,8-9,11-15,17-24,43H,7,10,16H2,1-5H3;1-22H;4-24H,1-3H3;1-22H;1-20H
InChIKeyAYRGTTYLALAEMX-UHFFFAOYSA-N
XLogP79.37
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms292
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003708.77
LogP ≤ 579.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 17-tert-butyl-6-(4,6-dihydropyren-1-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-fluoranthen-3-yl-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;7-tert-butyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[16-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzonitrile;3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene;4-naphthalen-2-ylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-tert-butyl-6-(4,6-dihydropyren-1-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-fluoranthen-3-yl-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;7-tert-butyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[16-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzonitrile;3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene;4-naphthalen-2-ylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene?
The IUPAC name of 17-tert-butyl-6-(4,6-dihydropyren-1-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-fluoranthen-3-yl-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;7-tert-butyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[16-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzonitrile;3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene;4-naphthalen-2-ylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene (CID 157272268) is 17-tert-butyl-6-(4,6-dihydropyren-1-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-fluoranthen-3-yl-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;7-tert-butyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[16-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzonitrile;3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene;4-naphthalen-2-ylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene.
What is the SMILES notation for 17-tert-butyl-6-(4,6-dihydropyren-1-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-fluoranthen-3-yl-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;7-tert-butyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[16-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzonitrile;3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene;4-naphthalen-2-ylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene?
The canonical SMILES for 17-tert-butyl-6-(4,6-dihydropyren-1-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-fluoranthen-3-yl-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;7-tert-butyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[16-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzonitrile;3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene;4-naphthalen-2-ylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene is CC(C)(C)c1cc2c3c4c(ccc3c1)C=C1C(C4=CC2)c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc2C1(C)C.CC(C)(C)c1cc2c3c4c(ccc3c1)C=C1C(C4=CC2)c2ccc(-c3ccc4c5c6c(ccc35)C=CCC6=CC4)cc2C1(C)C.CC(C)(C)c1ccc2c(c1)c(-c1ccc(-c3ccccc3)cc1)cc1c3cccc4c3c(cc21)-c1ccccc1-4.N#Cc1ccc(-c2cc3c4cc5c(cc4c(-c4ccc(C#N)cc4)cc3c3ccccc23)-c2cccc3cccc-5c23)cc1.c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc5c(c4)-c4cccc6cccc-5c46)c4cccc-3c24)cc1.c1ccc(-c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ccccc3-6)cc2)cc1.c1ccc2c(c1)-c1cccc3c1c-2cc1c2ccccc2c(-c2ccc4ccccc4c2)cc31.
What is the InChIKey of 17-tert-butyl-6-(4,6-dihydropyren-1-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-fluoranthen-3-yl-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;7-tert-butyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[16-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzonitrile;3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene;4-naphthalen-2-ylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene?
The InChIKey is AYRGTTYLALAEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28.C45H36.C45H38.C42H22N2.C40H30.C36H22.C34H20/c1-3-12-30(13-4-1)44-37-18-7-8-19-38(37)45(31-14-5-2-6-15-31)48-41-27-26-33(35-22-11-23-40(46(35)41)47(44)48)32-24-25-34-36-20-9-16-29-17-10-21-39(43(29)36)42(34)28-32;1-44(2,3)29-21-26-13-14-28-24-39-43(37-18-16-27(22-29)40(26)41(28)37)36-17-15-25(23-38(36)45(39,4)5)30-19-20-35-32-10-7-6-9-31(32)34-12-8-11-33(30)42(34)35;1-44(2,3)32-21-29-11-12-31-24-38-43(36-20-16-30(22-32)40(29)42(31)36)35-19-15-28(23-37(35)45(38,4)5)33-17-13-27-10-9-25-7-6-8-26-14-18-34(33)41(27)39(25)26;43-23-25-11-15-27(16-12-25)34-19-40-36(31-8-2-1-7-30(31)34)20-35(28-17-13-26(24-44)14-18-28)39-21-37-32-9-3-5-29-6-4-10-33(42(29)32)38(37)22-41(39)40;1-40(2,3)28-20-21-31-35(22-28)34(27-18-16-26(17-19-27)25-10-5-4-6-11-25)23-37-33-15-9-14-32-29-12-7-8-13-30(29)38(39(32)33)24-36(31)37;1-2-9-23(10-3-1)24-17-19-25(20-18-24)32-21-34-31-16-8-15-30-26-11-4-7-14-29(26)35(36(30)31)22-33(34)28-13-6-5-12-27(28)32;1-2-9-22-18-23(17-16-21(22)8-1)30-19-32-29-15-7-14-28-24-10-3-6-13-27(24)33(34(28)29)20-31(32)26-12-5-4-11-25(26)30/h1-28H;6-15,17-24,43H,16H2,1-5H3;6,8-9,11-15,17-24,43H,7,10,16H2,1-5H3;1-22H;4-24H,1-3H3;1-22H;1-20H.
What are the key properties of 17-tert-butyl-6-(4,6-dihydropyren-1-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-fluoranthen-3-yl-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;7-tert-butyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[16-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzonitrile;3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene;4-naphthalen-2-ylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene?
17-tert-butyl-6-(4,6-dihydropyren-1-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-fluoranthen-3-yl-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;7-tert-butyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[16-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzonitrile;3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene;4-naphthalen-2-ylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene has a molecular weight of 3708.77 g/mol, XLogP of 79.37, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-tert-butyl-6-(4,6-dihydropyren-1-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-fluoranthen-3-yl-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;7-tert-butyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;4-[16-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzonitrile;3-fluoranthen-8-yl-7,12-diphenylbenzo[k]fluoranthene;4-naphthalen-2-ylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene;4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene is sourced from PubChem (CID 157272268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).