9-fluoranthen-3-yl-21-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene;9-fluoranthen-3-yl-23-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;18-fluoranthen-3-yl-27-thia-2,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene;9-(4-phenylquinazolin-2-yl)-23-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;9-(4-phenylquinazolin-2-yl)-27-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),21,23,25,29-tetradecaene

C211H115N19O2S3 — CID 160724954

IUPAC9-fluoranthen-3-yl-21-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene;9-fluoranthen-3-yl-23-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;18-fluoranthen-3-yl-27-thia-2,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene;9-(4-phenylquinazolin-2-yl)-23-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;9-(4-phenylquinazolin-2-yl)-27-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),21,23,25,29-tetradecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c3c3ccccc3c3nc5c6c(ccc5n34)sc3ccccc36)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c3c3ccccc3c3nc5ccc6sc7ccccc7c6c5n34)nc3ccccc23)cc1.c1ccc2c(c1)-c1cccc3c(-n4c5c(ccc6sc7ccccc7c65)c5c4c4ccccc4c4nc6ccccc6n45)ccc-2c13.c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5c4c4ccccc4c4nc6c7oc8ccccc8c7ccc6n45)ccc-2c13.c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5c4c4ccccc4c4nc6ccc7oc8ccccc8c7c6n45)ccc-2c13
InChIInChI=1S/2C43H23N3O.C43H23N3S.2C41H23N5S/c1-2-11-25-24(10-1)27-16-9-17-32-35(22-20-28(25)38(27)32)45-34-18-7-5-15-33(34)41-40(45)29-13-3-4-14-31(29)43-44-39-36(46(41)43)23-21-30-26-12-6-8-19-37(26)47-42(30)39;1-2-11-25-24(10-1)26-16-9-17-30-35(22-20-27(25)38(26)30)45-34-18-7-5-14-31(34)41-40(45)28-12-3-4-13-29(28)43-44-33-21-23-37-39(42(33)46(41)43)32-15-6-8-19-36(32)47-37;1-2-11-25-24(10-1)26-15-9-16-30-34(22-20-27(25)38(26)30)45-40-32(21-23-37-39(40)31-14-5-8-19-36(31)47-37)42-41(45)28-12-3-4-13-29(28)43-44-33-17-6-7-18-35(33)46(42)43;1-2-12-24(13-3-1)36-27-16-6-9-19-30(27)43-41(44-36)45-32-20-10-7-17-28(32)38-37(45)25-14-4-5-15-26(25)40-42-31-22-23-34-35(39(31)46(38)40)29-18-8-11-21-33(29)47-34;1-2-12-24(13-3-1)36-27-16-6-9-19-30(27)42-41(44-36)46-31-20-10-7-17-28(31)39-38(46)25-14-4-5-15-26(25)40-43-37-32(45(39)40)22-23-34-35(37)29-18-8-11-21-33(29)47-34/h5*1-23H
InChIKeyRTOVZNRKAVNMGF-UHFFFAOYSA-N
MW3044.57 g/mol
LogP56.21
Rot. Bonds7

About 9-fluoranthen-3-yl-21-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene;9-fluoranthen-3-yl-23-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;18-fluoranthen-3-yl-27-thia-2,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene;9-(4-phenylquinazolin-2-yl)-23-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;9-(4-phenylquinazolin-2-yl)-27-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),21,23,25,29-tetradecaene

9-fluoranthen-3-yl-21-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene;9-fluoranthen-3-yl-23-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;18-fluoranthen-3-yl-27-thia-2,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene;9-(4-phenylquinazolin-2-yl)-23-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;9-(4-phenylquinazolin-2-yl)-27-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),21,23,25,29-tetradecaene (PubChem CID 160724954) has the molecular formula C211H115N19O2S3 and a molecular weight of 3044.57 g/mol. Its IUPAC name is 9-fluoranthen-3-yl-21-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene;9-fluoranthen-3-yl-23-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;18-fluoranthen-3-yl-27-thia-2,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene;9-(4-phenylquinazolin-2-yl)-23-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;9-(4-phenylquinazolin-2-yl)-27-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),21,23,25,29-tetradecaene.

Molecular Properties

Compound Name9-fluoranthen-3-yl-21-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene;9-fluoranthen-3-yl-23-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;18-fluoranthen-3-yl-27-thia-2,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene;9-(4-phenylquinazolin-2-yl)-23-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;9-(4-phenylquinazolin-2-yl)-27-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),21,23,25,29-tetradecaene
PubChem CID160724954
Molecular FormulaC211H115N19O2S3
Molecular Weight3044.57 g/mol
Exact Mass3041.86
IUPAC Name9-fluoranthen-3-yl-21-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene;9-fluoranthen-3-yl-23-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;18-fluoranthen-3-yl-27-thia-2,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene;9-(4-phenylquinazolin-2-yl)-23-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;9-(4-phenylquinazolin-2-yl)-27-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),21,23,25,29-tetradecaene
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c3c3ccccc3c3nc5c6c(ccc5n34)sc3ccccc36)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c3c3ccccc3c3nc5ccc6sc7ccccc7c6c5n34)nc3ccccc23)cc1.c1ccc2c(c1)-c1cccc3c(-n4c5c(ccc6sc7ccccc7c65)c5c4c4ccccc4c4nc6ccccc6n45)ccc-2c13.c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5c4c4ccccc4c4nc6c7oc8ccccc8c7ccc6n45)ccc-2c13.c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5c4c4ccccc4c4nc6ccc7oc8ccccc8c7c6n45)ccc-2c13
InChIInChI=1S/2C43H23N3O.C43H23N3S.2C41H23N5S/c1-2-11-25-24(10-1)27-16-9-17-32-35(22-20-28(25)38(27)32)45-34-18-7-5-15-33(34)41-40(45)29-13-3-4-14-31(29)43-44-39-36(46(41)43)23-21-30-26-12-6-8-19-37(26)47-42(30)39;1-2-11-25-24(10-1)26-16-9-17-30-35(22-20-27(25)38(26)30)45-34-18-7-5-14-31(34)41-40(45)28-12-3-4-13-29(28)43-44-33-21-23-37-39(42(33)46(41)43)32-15-6-8-19-36(32)47-37;1-2-11-25-24(10-1)26-15-9-16-30-34(22-20-27(25)38(26)30)45-40-32(21-23-37-39(40)31-14-5-8-19-36(31)47-37)42-41(45)28-12-3-4-13-29(28)43-44-33-17-6-7-18-35(33)46(42)43;1-2-12-24(13-3-1)36-27-16-6-9-19-30(27)43-41(44-36)45-32-20-10-7-17-28(32)38-37(45)25-14-4-5-15-26(25)40-42-31-22-23-34-35(39(31)46(38)40)29-18-8-11-21-33(29)47-34;1-2-12-24(13-3-1)36-27-16-6-9-19-30(27)42-41(44-36)46-31-20-10-7-17-28(31)39-38(46)25-14-4-5-15-26(25)40-43-37-32(45(39)40)22-23-34-35(37)29-18-8-11-21-33(29)47-34/h5*1-23H
InChIKeyRTOVZNRKAVNMGF-UHFFFAOYSA-N
XLogP56.21
TPSA188.99 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds7
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003044.57
LogP ≤ 556.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 9-fluoranthen-3-yl-21-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene;9-fluoranthen-3-yl-23-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;18-fluoranthen-3-yl-27-thia-2,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene;9-(4-phenylquinazolin-2-yl)-23-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;9-(4-phenylquinazolin-2-yl)-27-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),21,23,25,29-tetradecaene with MolForge

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Related Compounds

3-fluoranthen-3-yl-28-phenyl-3,11,18,28-tetrazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,29.022,27]hentriaconta-1(20),2(10),4,6,8,12,14,16,18,21(29),22,24,26,30-tetradecaene;9-fluoranthen-3-yl-23-phenyl-1,9,18,23-tetrazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;9-fluoranthen-3-yl-27-phenyl-1,9,18,27-tetrazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),21,23,25,29-tetradecaene;9-fluoranthen-2-yl-21-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene;9-(4-phenylquinazolin-2-yl)-21-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene
CID 157289677
12-(4-dibenzofuran-4-ylquinazolin-2-yl)-[1]benzothiolo[3,2-a]carbazole
CID 71291213
15-fluoranthen-3-yl-12-(4-phenylphenyl)-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;12-(4-phenylphenyl)-15-(4-phenylquinazolin-2-yl)-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;15-(4-phenylphenyl)-12-(4-phenylquinazolin-2-yl)-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 159278225
6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane
CID 142569321
26-(4-phenylquinazolin-2-yl)-4,15-dithia-26-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;26-(4-phenylquinazolin-2-yl)-4-oxa-15-thia-26-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 165057098
9-(4-phenylquinazolin-2-yl)-21-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene
CID 129127960
12-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-a]carbazole
CID 71291222
12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-a]carbazole
CID 155158544
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-12-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene;24-fluoranthen-3-yl-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-24-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 162073398
12-(4-dibenzofuran-4-yl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-a]carbazole
CID 129224986
18-(4-phenylquinazolin-2-yl)-12-[18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaen-21-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene
CID 126496214
18-phenyl-27-(4-phenylquinazolin-2-yl)-2,9,18,27-tetrazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene
CID 129127853

Frequently Asked Questions

What is the IUPAC name of 9-fluoranthen-3-yl-21-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene;9-fluoranthen-3-yl-23-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;18-fluoranthen-3-yl-27-thia-2,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene;9-(4-phenylquinazolin-2-yl)-23-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;9-(4-phenylquinazolin-2-yl)-27-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),21,23,25,29-tetradecaene?
The IUPAC name of 9-fluoranthen-3-yl-21-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene;9-fluoranthen-3-yl-23-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;18-fluoranthen-3-yl-27-thia-2,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene;9-(4-phenylquinazolin-2-yl)-23-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;9-(4-phenylquinazolin-2-yl)-27-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),21,23,25,29-tetradecaene (CID 160724954) is 9-fluoranthen-3-yl-21-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene;9-fluoranthen-3-yl-23-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;18-fluoranthen-3-yl-27-thia-2,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene;9-(4-phenylquinazolin-2-yl)-23-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;9-(4-phenylquinazolin-2-yl)-27-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),21,23,25,29-tetradecaene.
What is the SMILES notation for 9-fluoranthen-3-yl-21-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene;9-fluoranthen-3-yl-23-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;18-fluoranthen-3-yl-27-thia-2,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene;9-(4-phenylquinazolin-2-yl)-23-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;9-(4-phenylquinazolin-2-yl)-27-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),21,23,25,29-tetradecaene?
The canonical SMILES for 9-fluoranthen-3-yl-21-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene;9-fluoranthen-3-yl-23-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;18-fluoranthen-3-yl-27-thia-2,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene;9-(4-phenylquinazolin-2-yl)-23-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;9-(4-phenylquinazolin-2-yl)-27-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),21,23,25,29-tetradecaene is c1ccc(-c2nc(-n3c4ccccc4c4c3c3ccccc3c3nc5c6c(ccc5n34)sc3ccccc36)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c3c3ccccc3c3nc5ccc6sc7ccccc7c6c5n34)nc3ccccc23)cc1.c1ccc2c(c1)-c1cccc3c(-n4c5c(ccc6sc7ccccc7c65)c5c4c4ccccc4c4nc6ccccc6n45)ccc-2c13.c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5c4c4ccccc4c4nc6c7oc8ccccc8c7ccc6n45)ccc-2c13.c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5c4c4ccccc4c4nc6ccc7oc8ccccc8c7c6n45)ccc-2c13.
What is the InChIKey of 9-fluoranthen-3-yl-21-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene;9-fluoranthen-3-yl-23-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;18-fluoranthen-3-yl-27-thia-2,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene;9-(4-phenylquinazolin-2-yl)-23-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;9-(4-phenylquinazolin-2-yl)-27-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),21,23,25,29-tetradecaene?
The InChIKey is RTOVZNRKAVNMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H23N3O.C43H23N3S.2C41H23N5S/c1-2-11-25-24(10-1)27-16-9-17-32-35(22-20-28(25)38(27)32)45-34-18-7-5-15-33(34)41-40(45)29-13-3-4-14-31(29)43-44-39-36(46(41)43)23-21-30-26-12-6-8-19-37(26)47-42(30)39;1-2-11-25-24(10-1)26-16-9-17-30-35(22-20-27(25)38(26)30)45-34-18-7-5-14-31(34)41-40(45)28-12-3-4-13-29(28)43-44-33-21-23-37-39(42(33)46(41)43)32-15-6-8-19-36(32)47-37;1-2-11-25-24(10-1)26-15-9-16-30-34(22-20-27(25)38(26)30)45-40-32(21-23-37-39(40)31-14-5-8-19-36(31)47-37)42-41(45)28-12-3-4-13-29(28)43-44-33-17-6-7-18-35(33)46(42)43;1-2-12-24(13-3-1)36-27-16-6-9-19-30(27)43-41(44-36)45-32-20-10-7-17-28(32)38-37(45)25-14-4-5-15-26(25)40-42-31-22-23-34-35(39(31)46(38)40)29-18-8-11-21-33(29)47-34;1-2-12-24(13-3-1)36-27-16-6-9-19-30(27)42-41(44-36)46-31-20-10-7-17-28(31)39-38(46)25-14-4-5-15-26(25)40-43-37-32(45(39)40)22-23-34-35(37)29-18-8-11-21-33(29)47-34/h5*1-23H.
What are the key properties of 9-fluoranthen-3-yl-21-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene;9-fluoranthen-3-yl-23-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;18-fluoranthen-3-yl-27-thia-2,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene;9-(4-phenylquinazolin-2-yl)-23-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;9-(4-phenylquinazolin-2-yl)-27-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),21,23,25,29-tetradecaene?
9-fluoranthen-3-yl-21-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene;9-fluoranthen-3-yl-23-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;18-fluoranthen-3-yl-27-thia-2,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene;9-(4-phenylquinazolin-2-yl)-23-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;9-(4-phenylquinazolin-2-yl)-27-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),21,23,25,29-tetradecaene has a molecular weight of 3044.57 g/mol, XLogP of 56.21, 7 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoranthen-3-yl-21-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.022,27]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),22,24,26,29-tetradecaene;9-fluoranthen-3-yl-23-oxa-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;18-fluoranthen-3-yl-27-thia-2,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-1(17),3,5,7,9,11,13,15,19(31),20(28),21,23,25,29-tetradecaene;9-(4-phenylquinazolin-2-yl)-23-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.022,30.024,29]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20,22(30),24,26,28-tetradecaene;9-(4-phenylquinazolin-2-yl)-27-thia-1,9,18-triazaoctacyclo[15.14.0.02,10.03,8.011,16.019,31.020,28.021,26]hentriaconta-2(10),3,5,7,11,13,15,17,19(31),20(28),21,23,25,29-tetradecaene is sourced from PubChem (CID 160724954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).