4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene

C285H173N35S8 — CID 157101963

IUPAC4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
SMILESc1cc(-c2ccc3nc4c5ccccc5sc4n3c2)cc(-c2cc3cccnc3c3ncccc23)c1.c1ccc(-c2cc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5nc6c7ccccc7sc6n5c4)c4ccccc34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc6c7ccccc7sc6n5c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5nc6c7ccccc7sc6n5c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5nc6c7ccccc7sc6n5c4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc6c7ccccc7sc6n5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5nc6c7ccccc7sc6n5c4)c3)n2)cc1.c1cnc2c(c1)cc(-c1ccc(-c3ccc4nc5c6ccccc6sc5n4c3)cc1)c1cccnc12
InChIInChI=1S/C43H26N4S.C42H25N5S.2C35H22N4S.2C34H21N5S.2C31H18N4S/c1-3-13-27(14-4-1)35-25-36(28-15-5-2-6-16-28)45-42(44-35)40-32-19-9-7-17-30(32)39(31-18-8-10-20-33(31)40)29-23-24-38-46-41-34-21-11-12-22-37(34)48-43(41)47(38)26-29;1-3-13-26(14-4-1)39-44-40(27-15-5-2-6-16-27)46-41(45-39)37-31-19-9-7-17-29(31)36(30-18-8-10-20-32(30)37)28-23-24-35-43-38-33-21-11-12-22-34(33)48-42(38)47(35)25-28;1-3-10-23(11-4-1)29-21-30(24-12-5-2-6-13-24)37-34(36-29)26-15-9-14-25(20-26)27-18-19-32-38-33-28-16-7-8-17-31(28)40-35(33)39(32)22-27;1-3-9-24(10-4-1)29-21-30(25-11-5-2-6-12-25)37-34(36-29)26-17-15-23(16-18-26)27-19-20-32-38-33-28-13-7-8-14-31(28)40-35(33)39(32)22-27;1-3-10-22(11-4-1)31-36-32(23-12-5-2-6-13-23)38-33(37-31)25-15-9-14-24(20-25)26-18-19-29-35-30-27-16-7-8-17-28(27)40-34(30)39(29)21-26;1-3-9-23(10-4-1)31-36-32(24-11-5-2-6-12-24)38-33(37-31)25-17-15-22(16-18-25)26-19-20-29-35-30-27-13-7-8-14-28(27)40-34(30)39(29)21-26;1-2-11-26-24(9-1)30-31(36-26)35-18-22(12-13-27(35)34-30)19-6-3-7-20(16-19)25-17-21-8-4-14-32-28(21)29-23(25)10-5-15-33-29;1-2-8-26-24(6-1)30-31(36-26)35-18-22(13-14-27(35)34-30)19-9-11-20(12-10-19)25-17-21-5-3-15-32-28(21)29-23(25)7-4-16-33-29/h1-26H;1-25H;2*1-22H;2*1-21H;2*1-18H
InChIKeyAFWFEQKKKIZQJS-UHFFFAOYSA-N
MW4344.30 g/mol
LogP74.02
Rot. Bonds28

About 4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene

4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (PubChem CID 157101963) has the molecular formula C285H173N35S8 and a molecular weight of 4344.30 g/mol. Its IUPAC name is 4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.

Molecular Properties

Compound Name4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
PubChem CID157101963
Molecular FormulaC285H173N35S8
Molecular Weight4344.30 g/mol
Exact Mass4340.24
IUPAC Name4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
SMILESc1cc(-c2ccc3nc4c5ccccc5sc4n3c2)cc(-c2cc3cccnc3c3ncccc23)c1.c1ccc(-c2cc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5nc6c7ccccc7sc6n5c4)c4ccccc34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc6c7ccccc7sc6n5c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5nc6c7ccccc7sc6n5c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5nc6c7ccccc7sc6n5c4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc6c7ccccc7sc6n5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5nc6c7ccccc7sc6n5c4)c3)n2)cc1.c1cnc2c(c1)cc(-c1ccc(-c3ccc4nc5c6ccccc6sc5n4c3)cc1)c1cccnc12
InChIInChI=1S/C43H26N4S.C42H25N5S.2C35H22N4S.2C34H21N5S.2C31H18N4S/c1-3-13-27(14-4-1)35-25-36(28-15-5-2-6-16-28)45-42(44-35)40-32-19-9-7-17-30(32)39(31-18-8-10-20-33(31)40)29-23-24-38-46-41-34-21-11-12-22-37(34)48-43(41)47(38)26-29;1-3-13-26(14-4-1)39-44-40(27-15-5-2-6-16-27)46-41(45-39)37-31-19-9-7-17-29(31)36(30-18-8-10-20-32(30)37)28-23-24-35-43-38-33-21-11-12-22-34(33)48-42(38)47(35)25-28;1-3-10-23(11-4-1)29-21-30(24-12-5-2-6-13-24)37-34(36-29)26-15-9-14-25(20-26)27-18-19-32-38-33-28-16-7-8-17-31(28)40-35(33)39(32)22-27;1-3-9-24(10-4-1)29-21-30(25-11-5-2-6-12-25)37-34(36-29)26-17-15-23(16-18-26)27-19-20-32-38-33-28-13-7-8-14-31(28)40-35(33)39(32)22-27;1-3-10-22(11-4-1)31-36-32(23-12-5-2-6-13-23)38-33(37-31)25-15-9-14-24(20-25)26-18-19-29-35-30-27-16-7-8-17-28(27)40-34(30)39(29)21-26;1-3-9-23(10-4-1)31-36-32(24-11-5-2-6-12-24)38-33(37-31)25-17-15-22(16-18-25)26-19-20-29-35-30-27-13-7-8-14-28(27)40-34(30)39(29)21-26;1-2-11-26-24(9-1)30-31(36-26)35-18-22(12-13-27(35)34-30)19-6-3-7-20(16-19)25-17-21-8-4-14-32-28(21)29-23(25)10-5-15-33-29;1-2-8-26-24(6-1)30-31(36-26)35-18-22(13-14-27(35)34-30)19-9-11-20(12-10-19)25-17-21-5-3-15-32-28(21)29-23(25)7-4-16-33-29/h1-26H;1-25H;2*1-22H;2*1-21H;2*1-18H
InChIKeyAFWFEQKKKIZQJS-UHFFFAOYSA-N
XLogP74.02
TPSA383.31 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds28
Heavy Atoms328
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004344.30
LogP ≤ 574.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze 4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene with MolForge

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What is the IUPAC name of 4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The IUPAC name of 4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (CID 157101963) is 4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.
What is the SMILES notation for 4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The canonical SMILES for 4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is c1cc(-c2ccc3nc4c5ccccc5sc4n3c2)cc(-c2cc3cccnc3c3ncccc23)c1.c1ccc(-c2cc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5nc6c7ccccc7sc6n5c4)c4ccccc34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc6c7ccccc7sc6n5c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5nc6c7ccccc7sc6n5c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5nc6c7ccccc7sc6n5c4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc6c7ccccc7sc6n5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5nc6c7ccccc7sc6n5c4)c3)n2)cc1.c1cnc2c(c1)cc(-c1ccc(-c3ccc4nc5c6ccccc6sc5n4c3)cc1)c1cccnc12.
What is the InChIKey of 4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The InChIKey is AFWFEQKKKIZQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4S.C42H25N5S.2C35H22N4S.2C34H21N5S.2C31H18N4S/c1-3-13-27(14-4-1)35-25-36(28-15-5-2-6-16-28)45-42(44-35)40-32-19-9-7-17-30(32)39(31-18-8-10-20-33(31)40)29-23-24-38-46-41-34-21-11-12-22-37(34)48-43(41)47(38)26-29;1-3-13-26(14-4-1)39-44-40(27-15-5-2-6-16-27)46-41(45-39)37-31-19-9-7-17-29(31)36(30-18-8-10-20-32(30)37)28-23-24-35-43-38-33-21-11-12-22-34(33)48-42(38)47(35)25-28;1-3-10-23(11-4-1)29-21-30(24-12-5-2-6-13-24)37-34(36-29)26-15-9-14-25(20-26)27-18-19-32-38-33-28-16-7-8-17-31(28)40-35(33)39(32)22-27;1-3-9-24(10-4-1)29-21-30(25-11-5-2-6-12-25)37-34(36-29)26-17-15-23(16-18-26)27-19-20-32-38-33-28-13-7-8-14-31(28)40-35(33)39(32)22-27;1-3-10-22(11-4-1)31-36-32(23-12-5-2-6-13-23)38-33(37-31)25-15-9-14-24(20-25)26-18-19-29-35-30-27-16-7-8-17-28(27)40-34(30)39(29)21-26;1-3-9-23(10-4-1)31-36-32(24-11-5-2-6-12-24)38-33(37-31)25-17-15-22(16-18-25)26-19-20-29-35-30-27-13-7-8-14-28(27)40-34(30)39(29)21-26;1-2-11-26-24(9-1)30-31(36-26)35-18-22(12-13-27(35)34-30)19-6-3-7-20(16-19)25-17-21-8-4-14-32-28(21)29-23(25)10-5-15-33-29;1-2-8-26-24(6-1)30-31(36-26)35-18-22(13-14-27(35)34-30)19-9-11-20(12-10-19)25-17-21-5-3-15-32-28(21)29-23(25)7-4-16-33-29/h1-26H;1-25H;2*1-22H;2*1-21H;2*1-18H.
What are the key properties of 4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene has a molecular weight of 4344.30 g/mol, XLogP of 74.02, 28 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[3-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;4-[4-(1,10-phenanthrolin-5-yl)phenyl]-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is sourced from PubChem (CID 157101963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).