7,21-diphenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;7-naphthalen-1-yl-21-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;25-phenyl-3-(4-phenylquinazolin-2-yl)-27-thia-3,25-diazaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.019,24]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23-dodecaene;13-phenyl-18-(4-phenylquinazolin-2-yl)-15-thia-13,18-diazanonacyclo[17.16.0.02,17.05,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),7,9,11,20,22,24,26,28,30,32,34-hexadecaene

C192H114N16S4 — CID 160719137

IUPAC7,21-diphenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;7-naphthalen-1-yl-21-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;25-phenyl-3-(4-phenylquinazolin-2-yl)-27-thia-3,25-diazaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.019,24]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23-dodecaene;13-phenyl-18-(4-phenylquinazolin-2-yl)-15-thia-13,18-diazanonacyclo[17.16.0.02,17.05,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),7,9,11,20,22,24,26,28,30,32,34-hexadecaene
SMILESc1ccc(-c2ccc3c(c2)c2ccc4c(sc5c4c4ccccc4n5-c4ccccc4)c2n3-c2nc(-c3ccccc3)c3ccccc3n2)cc1.c1ccc(-c2nc(-n3c4cc5c6ccccc6c6ccccc6c5cc4c4ccc5c(sc6c5c5ccccc5n6-c5ccccc5)c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccc(-c5cccc6ccccc56)cc4c4ccc5c(sc6c5c5ccccc5n6-c5ccccc5)c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c(sc6c5c5ccccc5n6-c5ccccc5)c43)nc3ccccc23)cc1
InChIInChI=1S/C52H30N4S.C50H30N4S.C46H28N4S.C44H26N4S/c1-3-15-31(16-4-1)48-38-23-11-13-25-44(38)53-52(54-48)56-46-30-42-36-22-10-8-20-34(36)33-19-7-9-21-35(33)41(42)29-43(46)37-27-28-40-47-39-24-12-14-26-45(39)55(32-17-5-2-6-18-32)51(47)57-50(40)49(37)56;1-3-15-32(16-4-1)46-38-21-9-11-24-42(38)51-50(52-46)54-44-29-26-33(36-23-13-17-31-14-7-8-20-35(31)36)30-41(44)37-27-28-40-45-39-22-10-12-25-43(39)53(34-18-5-2-6-19-34)49(45)55-48(40)47(37)54;1-4-14-29(15-5-1)31-24-27-40-37(28-31)33-25-26-36-41-35-21-11-13-23-39(35)49(32-18-8-3-9-19-32)45(41)51-44(36)43(33)50(40)46-47-38-22-12-10-20-34(38)42(48-46)30-16-6-2-7-17-30;1-3-15-27(16-4-1)40-31-21-9-12-24-34(31)45-44(46-40)48-36-26-14-10-22-32(36)37-29-19-7-8-20-30(29)38-39-33-23-11-13-25-35(33)47(28-17-5-2-6-18-28)43(39)49-42(38)41(37)48/h1-30H;1-30H;1-28H;1-26H
InChIKeyRSWFSTOJUMTWDL-UHFFFAOYSA-N
MW2773.40 g/mol
LogP51.92
Rot. Bonds14

About 7,21-diphenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;7-naphthalen-1-yl-21-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;25-phenyl-3-(4-phenylquinazolin-2-yl)-27-thia-3,25-diazaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.019,24]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23-dodecaene;13-phenyl-18-(4-phenylquinazolin-2-yl)-15-thia-13,18-diazanonacyclo[17.16.0.02,17.05,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),7,9,11,20,22,24,26,28,30,32,34-hexadecaene

7,21-diphenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;7-naphthalen-1-yl-21-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;25-phenyl-3-(4-phenylquinazolin-2-yl)-27-thia-3,25-diazaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.019,24]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23-dodecaene;13-phenyl-18-(4-phenylquinazolin-2-yl)-15-thia-13,18-diazanonacyclo[17.16.0.02,17.05,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),7,9,11,20,22,24,26,28,30,32,34-hexadecaene (PubChem CID 160719137) has the molecular formula C192H114N16S4 and a molecular weight of 2773.40 g/mol. Its IUPAC name is 7,21-diphenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;7-naphthalen-1-yl-21-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;25-phenyl-3-(4-phenylquinazolin-2-yl)-27-thia-3,25-diazaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.019,24]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23-dodecaene;13-phenyl-18-(4-phenylquinazolin-2-yl)-15-thia-13,18-diazanonacyclo[17.16.0.02,17.05,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),7,9,11,20,22,24,26,28,30,32,34-hexadecaene.

Molecular Properties

Compound Name7,21-diphenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;7-naphthalen-1-yl-21-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;25-phenyl-3-(4-phenylquinazolin-2-yl)-27-thia-3,25-diazaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.019,24]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23-dodecaene;13-phenyl-18-(4-phenylquinazolin-2-yl)-15-thia-13,18-diazanonacyclo[17.16.0.02,17.05,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),7,9,11,20,22,24,26,28,30,32,34-hexadecaene
PubChem CID160719137
Molecular FormulaC192H114N16S4
Molecular Weight2773.40 g/mol
Exact Mass2770.83
IUPAC Name7,21-diphenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;7-naphthalen-1-yl-21-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;25-phenyl-3-(4-phenylquinazolin-2-yl)-27-thia-3,25-diazaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.019,24]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23-dodecaene;13-phenyl-18-(4-phenylquinazolin-2-yl)-15-thia-13,18-diazanonacyclo[17.16.0.02,17.05,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),7,9,11,20,22,24,26,28,30,32,34-hexadecaene
SMILESc1ccc(-c2ccc3c(c2)c2ccc4c(sc5c4c4ccccc4n5-c4ccccc4)c2n3-c2nc(-c3ccccc3)c3ccccc3n2)cc1.c1ccc(-c2nc(-n3c4cc5c6ccccc6c6ccccc6c5cc4c4ccc5c(sc6c5c5ccccc5n6-c5ccccc5)c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccc(-c5cccc6ccccc56)cc4c4ccc5c(sc6c5c5ccccc5n6-c5ccccc5)c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c(sc6c5c5ccccc5n6-c5ccccc5)c43)nc3ccccc23)cc1
InChIInChI=1S/C52H30N4S.C50H30N4S.C46H28N4S.C44H26N4S/c1-3-15-31(16-4-1)48-38-23-11-13-25-44(38)53-52(54-48)56-46-30-42-36-22-10-8-20-34(36)33-19-7-9-21-35(33)41(42)29-43(46)37-27-28-40-47-39-24-12-14-26-45(39)55(32-17-5-2-6-18-32)51(47)57-50(40)49(37)56;1-3-15-32(16-4-1)46-38-21-9-11-24-42(38)51-50(52-46)54-44-29-26-33(36-23-13-17-31-14-7-8-20-35(31)36)30-41(44)37-27-28-40-45-39-22-10-12-25-43(39)53(34-18-5-2-6-19-34)49(45)55-48(40)47(37)54;1-4-14-29(15-5-1)31-24-27-40-37(28-31)33-25-26-36-41-35-21-11-13-23-39(35)49(32-18-8-3-9-19-32)45(41)51-44(36)43(33)50(40)46-47-38-22-12-10-20-34(38)42(48-46)30-16-6-2-7-17-30;1-3-15-27(16-4-1)40-31-21-9-12-24-34(31)45-44(46-40)48-36-26-14-10-22-32(36)37-29-19-7-8-20-30(29)38-39-33-23-11-13-25-35(33)47(28-17-5-2-6-18-28)43(39)49-42(38)41(37)48/h1-30H;1-30H;1-28H;1-26H
InChIKeyRSWFSTOJUMTWDL-UHFFFAOYSA-N
XLogP51.92
TPSA142.56 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002773.40
LogP ≤ 551.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,21-diphenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;7-naphthalen-1-yl-21-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;25-phenyl-3-(4-phenylquinazolin-2-yl)-27-thia-3,25-diazaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.019,24]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23-dodecaene;13-phenyl-18-(4-phenylquinazolin-2-yl)-15-thia-13,18-diazanonacyclo[17.16.0.02,17.05,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),7,9,11,20,22,24,26,28,30,32,34-hexadecaene with MolForge

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Related Compounds

5-phenyl-27-(4-phenylquinazolin-2-yl)-3-thia-5,27-diazaheptacyclo[14.11.0.02,13.04,12.06,11.017,26.018,23]heptacosa-1(16),2(13),4(12),6,8,10,14,17(26),18,20,22,24-dodecaene
CID 118602345
methane;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 157091549
18-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 138475063
21-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 89282838
15,15-dimethyl-7-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20-decaene;19,19-dimethyl-3-(4-phenylquinazolin-2-yl)-27-oxa-3-azaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.020,25]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),20,22,24-dodecaene;7,7-dimethyl-18-(4-phenylquinazolin-2-yl)-15-oxa-18-azanonacyclo[17.16.0.02,17.05,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),8,10,12,20,22,24,26,28,30,32,34-hexadecaene;7,7-dimethyl-18-(4-phenylquinazolin-2-yl)-15-thia-18-azanonacyclo[17.16.0.02,17.05,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),8,10,12,20,22,24,26,28,30,32,34-hexadecaene
CID 158952711
24-(3-phenylphenyl)-20-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 130452319
20-(9-phenylcarbazol-3-yl)-24-(4-phenylquinazolin-2-yl)-3-thia-8,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 134361608
18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 138475167
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
2-phenyl-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole;9-(4-phenylquinazolin-2-yl)-3-triphenylen-2-ylcarbazole;9-phenyl-4-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]carbazole
CID 158204619
14-naphthalen-1-yl-24-[4-(4-phenylphenyl)phenanthro[9,10-d]pyrimidin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,14,18,20,22-undecaene;13-(9-phenylcarbazol-3-yl)-24-(4-phenylphenanthro[9,10-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,14,18,20,22-undecaene
CID 158831452
24-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 152931087

Frequently Asked Questions

What is the IUPAC name of 7,21-diphenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;7-naphthalen-1-yl-21-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;25-phenyl-3-(4-phenylquinazolin-2-yl)-27-thia-3,25-diazaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.019,24]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23-dodecaene;13-phenyl-18-(4-phenylquinazolin-2-yl)-15-thia-13,18-diazanonacyclo[17.16.0.02,17.05,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),7,9,11,20,22,24,26,28,30,32,34-hexadecaene?
The IUPAC name of 7,21-diphenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;7-naphthalen-1-yl-21-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;25-phenyl-3-(4-phenylquinazolin-2-yl)-27-thia-3,25-diazaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.019,24]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23-dodecaene;13-phenyl-18-(4-phenylquinazolin-2-yl)-15-thia-13,18-diazanonacyclo[17.16.0.02,17.05,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),7,9,11,20,22,24,26,28,30,32,34-hexadecaene (CID 160719137) is 7,21-diphenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;7-naphthalen-1-yl-21-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;25-phenyl-3-(4-phenylquinazolin-2-yl)-27-thia-3,25-diazaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.019,24]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23-dodecaene;13-phenyl-18-(4-phenylquinazolin-2-yl)-15-thia-13,18-diazanonacyclo[17.16.0.02,17.05,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),7,9,11,20,22,24,26,28,30,32,34-hexadecaene.
What is the SMILES notation for 7,21-diphenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;7-naphthalen-1-yl-21-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;25-phenyl-3-(4-phenylquinazolin-2-yl)-27-thia-3,25-diazaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.019,24]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23-dodecaene;13-phenyl-18-(4-phenylquinazolin-2-yl)-15-thia-13,18-diazanonacyclo[17.16.0.02,17.05,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),7,9,11,20,22,24,26,28,30,32,34-hexadecaene?
The canonical SMILES for 7,21-diphenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;7-naphthalen-1-yl-21-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;25-phenyl-3-(4-phenylquinazolin-2-yl)-27-thia-3,25-diazaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.019,24]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23-dodecaene;13-phenyl-18-(4-phenylquinazolin-2-yl)-15-thia-13,18-diazanonacyclo[17.16.0.02,17.05,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),7,9,11,20,22,24,26,28,30,32,34-hexadecaene is c1ccc(-c2ccc3c(c2)c2ccc4c(sc5c4c4ccccc4n5-c4ccccc4)c2n3-c2nc(-c3ccccc3)c3ccccc3n2)cc1.c1ccc(-c2nc(-n3c4cc5c6ccccc6c6ccccc6c5cc4c4ccc5c(sc6c5c5ccccc5n6-c5ccccc5)c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccc(-c5cccc6ccccc56)cc4c4ccc5c(sc6c5c5ccccc5n6-c5ccccc5)c43)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c(sc6c5c5ccccc5n6-c5ccccc5)c43)nc3ccccc23)cc1.
What is the InChIKey of 7,21-diphenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;7-naphthalen-1-yl-21-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;25-phenyl-3-(4-phenylquinazolin-2-yl)-27-thia-3,25-diazaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.019,24]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23-dodecaene;13-phenyl-18-(4-phenylquinazolin-2-yl)-15-thia-13,18-diazanonacyclo[17.16.0.02,17.05,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),7,9,11,20,22,24,26,28,30,32,34-hexadecaene?
The InChIKey is RSWFSTOJUMTWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4S.C50H30N4S.C46H28N4S.C44H26N4S/c1-3-15-31(16-4-1)48-38-23-11-13-25-44(38)53-52(54-48)56-46-30-42-36-22-10-8-20-34(36)33-19-7-9-21-35(33)41(42)29-43(46)37-27-28-40-47-39-24-12-14-26-45(39)55(32-17-5-2-6-18-32)51(47)57-50(40)49(37)56;1-3-15-32(16-4-1)46-38-21-9-11-24-42(38)51-50(52-46)54-44-29-26-33(36-23-13-17-31-14-7-8-20-35(31)36)30-41(44)37-27-28-40-45-39-22-10-12-25-43(39)53(34-18-5-2-6-19-34)49(45)55-48(40)47(37)54;1-4-14-29(15-5-1)31-24-27-40-37(28-31)33-25-26-36-41-35-21-11-13-23-39(35)49(32-18-8-3-9-19-32)45(41)51-44(36)43(33)50(40)46-47-38-22-12-10-20-34(38)42(48-46)30-16-6-2-7-17-30;1-3-15-27(16-4-1)40-31-21-9-12-24-34(31)45-44(46-40)48-36-26-14-10-22-32(36)37-29-19-7-8-20-30(29)38-39-33-23-11-13-25-35(33)47(28-17-5-2-6-18-28)43(39)49-42(38)41(37)48/h1-30H;1-30H;1-28H;1-26H.
What are the key properties of 7,21-diphenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;7-naphthalen-1-yl-21-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;25-phenyl-3-(4-phenylquinazolin-2-yl)-27-thia-3,25-diazaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.019,24]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23-dodecaene;13-phenyl-18-(4-phenylquinazolin-2-yl)-15-thia-13,18-diazanonacyclo[17.16.0.02,17.05,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),7,9,11,20,22,24,26,28,30,32,34-hexadecaene?
7,21-diphenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;7-naphthalen-1-yl-21-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;25-phenyl-3-(4-phenylquinazolin-2-yl)-27-thia-3,25-diazaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.019,24]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23-dodecaene;13-phenyl-18-(4-phenylquinazolin-2-yl)-15-thia-13,18-diazanonacyclo[17.16.0.02,17.05,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),7,9,11,20,22,24,26,28,30,32,34-hexadecaene has a molecular weight of 2773.40 g/mol, XLogP of 51.92, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7,21-diphenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;7-naphthalen-1-yl-21-phenyl-3-(4-phenylquinazolin-2-yl)-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,14(22),15,17,19-decaene;25-phenyl-3-(4-phenylquinazolin-2-yl)-27-thia-3,25-diazaheptacyclo[15.10.0.02,10.04,9.011,16.018,26.019,24]heptacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23-dodecaene;13-phenyl-18-(4-phenylquinazolin-2-yl)-15-thia-13,18-diazanonacyclo[17.16.0.02,17.05,16.06,14.07,12.021,34.022,27.028,33]pentatriaconta-1(19),2(17),3,5(16),6(14),7,9,11,20,22,24,26,28,30,32,34-hexadecaene is sourced from PubChem (CID 160719137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).