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

C231H130N20S2 — CID 157289677

IUPAC3-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
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c3c3ccccc3c3nc5c6sc7ccccc7c6ccc5n34)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3c2ccc2nc4c5ccccc5c5c(c6ccccc6n5-c5ccc6c7c(cccc57)-c5ccccc5-6)n4c23)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c2c(c3ccccc3n2-c2ccc3c5c(cccc25)-c2ccccc2-3)n2c3ccccc3nc42)cc1.c1ccc(-n2c3ccccc3c3c4nc5c6ccccc6c6c(c7ccccc7n6-c6ccc7c8c(cccc68)-c6ccccc6-7)n5c4ccc32)cc1.c1ccc2c(c1)-c1cccc3cc(-n4c5ccccc5c5c4c4ccccc4c4nc6c7sc8ccccc8c7ccc6n45)cc-2c13
InChIInChI=1S/3C49H28N4.C43H23N3S.C41H23N5S/c1-2-13-29(14-3-1)51-39-22-9-6-17-35(39)45-43(51)28-26-37-46(45)49-50-38-21-8-11-24-42(38)53(49)47-36-18-7-10-23-40(36)52(48(37)47)41-27-25-33-31-16-5-4-15-30(31)32-19-12-20-34(41)44(32)33;1-2-13-29(14-3-1)51-40-23-10-8-19-37(40)45-43(51)28-26-39-48(45)53-47-38-20-9-11-24-41(38)52(46(47)34-17-6-7-18-35(34)49(53)50-39)42-27-25-33-31-16-5-4-15-30(31)32-21-12-22-36(42)44(32)33;1-2-13-29(14-3-1)51-39-23-10-8-19-37(39)45-42(51)27-28-43-46(45)50-49-35-18-7-6-17-34(35)47-48(53(43)49)38-20-9-11-24-40(38)52(47)41-26-25-33-31-16-5-4-15-30(31)32-21-12-22-36(41)44(32)33;1-2-12-27-26(11-1)29-17-9-10-24-22-25(23-34(27)38(24)29)45-35-18-7-5-16-33(35)41-40(45)30-14-3-4-15-32(30)43-44-39-36(46(41)43)21-20-31-28-13-6-8-19-37(28)47-42(31)39;1-2-12-24(13-3-1)35-29-17-6-9-19-31(29)42-41(44-35)46-32-20-10-7-18-30(32)38-37(46)26-15-4-5-16-28(26)40-43-36-33(45(38)40)23-22-27-25-14-8-11-21-34(25)47-39(27)36/h3*1-28H;2*1-23H
InChIKeyBAQOVCWXZWVMRA-UHFFFAOYSA-N
MW3249.85 g/mol
LogP60.53
Rot. Bonds9

About 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

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 (PubChem CID 157289677) has the molecular formula C231H130N20S2 and a molecular weight of 3249.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID157289677
Molecular FormulaC231H130N20S2
Molecular Weight3249.85 g/mol
Exact Mass3247.02
IUPAC Name3-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
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c3c3ccccc3c3nc5c6sc7ccccc7c6ccc5n34)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3c2ccc2nc4c5ccccc5c5c(c6ccccc6n5-c5ccc6c7c(cccc57)-c5ccccc5-6)n4c23)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c2c(c3ccccc3n2-c2ccc3c5c(cccc25)-c2ccccc2-3)n2c3ccccc3nc42)cc1.c1ccc(-n2c3ccccc3c3c4nc5c6ccccc6c6c(c7ccccc7n6-c6ccc7c8c(cccc68)-c6ccccc6-7)n5c4ccc32)cc1.c1ccc2c(c1)-c1cccc3cc(-n4c5ccccc5c5c4c4ccccc4c4nc6c7sc8ccccc8c7ccc6n45)cc-2c13
InChIInChI=1S/3C49H28N4.C43H23N3S.C41H23N5S/c1-2-13-29(14-3-1)51-39-22-9-6-17-35(39)45-43(51)28-26-37-46(45)49-50-38-21-8-11-24-42(38)53(49)47-36-18-7-10-23-40(36)52(48(37)47)41-27-25-33-31-16-5-4-15-30(31)32-19-12-20-34(41)44(32)33;1-2-13-29(14-3-1)51-40-23-10-8-19-37(40)45-43(51)28-26-39-48(45)53-47-38-20-9-11-24-41(38)52(46(47)34-17-6-7-18-35(34)49(53)50-39)42-27-25-33-31-16-5-4-15-30(31)32-21-12-22-36(42)44(32)33;1-2-13-29(14-3-1)51-39-23-10-8-19-37(39)45-42(51)27-28-43-46(45)50-49-35-18-7-6-17-34(35)47-48(53(43)49)38-20-9-11-24-40(38)52(47)41-26-25-33-31-16-5-4-15-30(31)32-21-12-22-36(41)44(32)33;1-2-12-27-26(11-1)29-17-9-10-24-22-25(23-34(27)38(24)29)45-35-18-7-5-16-33(35)41-40(45)30-14-3-4-15-32(30)43-44-39-36(46(41)43)21-20-31-28-13-6-8-19-37(28)47-42(31)39;1-2-12-24(13-3-1)35-29-17-6-9-19-31(29)42-41(44-35)46-32-20-10-7-18-30(32)38-37(46)26-15-4-5-16-28(26)40-43-36-33(45(38)40)23-22-27-25-14-8-11-21-34(25)47-39(27)36/h3*1-28H;2*1-23H
InChIKeyBAQOVCWXZWVMRA-UHFFFAOYSA-N
XLogP60.53
TPSA151.72 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms253
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003249.85
LogP ≤ 560.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
4-naphthalen-1-yl-2-[12-(4-phenylquinazolin-2-yl)indolo[3,2-c]carbazol-5-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 147651971
8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 145419218
3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159551431
2-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole;3-(9-phenylcarbazol-3-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 159438708
2-(12-fluoranthen-3-ylindolo[3,2-c]carbazol-5-yl)-4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 147919655
9-(4-dibenzothiophen-4-ylquinazolin-2-yl)-18-phenyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672629
3-(3-fluoranthen-3-ylphenyl)-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-[4-(4-phenylquinazolin-2-yl)phenyl]-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-(4-phenylquinazolin-2-yl)-14-thia-3-azaoctacyclo[17.10.1.02,17.04,16.07,15.08,13.020,25.026,30]triaconta-1,4(16),5,7(15),8,10,12,17,19(30),20,22,24,26,28-tetradecaene;3-triphenylen-2-yl-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene
CID 161154371
9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122464
10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 168730639

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-n3c4ccccc4c4c3c3ccccc3c3nc5c6sc7ccccc7c6ccc5n34)nc3ccccc23)cc1.c1ccc(-n2c3ccccc3c3c2ccc2nc4c5ccccc5c5c(c6ccccc6n5-c5ccc6c7c(cccc57)-c5ccccc5-6)n4c23)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c2c(c3ccccc3n2-c2ccc3c5c(cccc25)-c2ccccc2-3)n2c3ccccc3nc42)cc1.c1ccc(-n2c3ccccc3c3c4nc5c6ccccc6c6c(c7ccccc7n6-c6ccc7c8c(cccc68)-c6ccccc6-7)n5c4ccc32)cc1.c1ccc2c(c1)-c1cccc3cc(-n4c5ccccc5c5c4c4ccccc4c4nc6c7sc8ccccc8c7ccc6n45)cc-2c13.
What is the InChIKey of 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?
The InChIKey is BAQOVCWXZWVMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C49H28N4.C43H23N3S.C41H23N5S/c1-2-13-29(14-3-1)51-39-22-9-6-17-35(39)45-43(51)28-26-37-46(45)49-50-38-21-8-11-24-42(38)53(49)47-36-18-7-10-23-40(36)52(48(37)47)41-27-25-33-31-16-5-4-15-30(31)32-19-12-20-34(41)44(32)33;1-2-13-29(14-3-1)51-40-23-10-8-19-37(40)45-43(51)28-26-39-48(45)53-47-38-20-9-11-24-41(38)52(46(47)34-17-6-7-18-35(34)49(53)50-39)42-27-25-33-31-16-5-4-15-30(31)32-21-12-22-36(42)44(32)33;1-2-13-29(14-3-1)51-39-23-10-8-19-37(39)45-42(51)27-28-43-46(45)50-49-35-18-7-6-17-34(35)47-48(53(43)49)38-20-9-11-24-40(38)52(47)41-26-25-33-31-16-5-4-15-30(31)32-21-12-22-36(41)44(32)33;1-2-12-27-26(11-1)29-17-9-10-24-22-25(23-34(27)38(24)29)45-35-18-7-5-16-33(35)41-40(45)30-14-3-4-15-32(30)43-44-39-36(46(41)43)21-20-31-28-13-6-8-19-37(28)47-42(31)39;1-2-12-24(13-3-1)35-29-17-6-9-19-31(29)42-41(44-35)46-32-20-10-7-18-30(32)38-37(46)26-15-4-5-16-28(26)40-43-36-33(45(38)40)23-22-27-25-14-8-11-21-34(25)47-39(27)36/h3*1-28H;2*1-23H.
What are the key properties of 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?
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 has a molecular weight of 3249.85 g/mol, XLogP of 60.53, 9 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157289677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).