3,10-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;5-[4-[10-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[10-(4-phenothiazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenothiazine;10-[4-[10-(4-phenoxazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine

C266H184N40O2S2Si2 — CID 157271117

IUPAC3,10-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;5-[4-[10-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[10-(4-phenothiazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenothiazine;10-[4-[10-(4-phenoxazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nnc4c5nnc(-c6ccc(N7c8ccccc8C(C)(C)c8ccccc87)cc6)n5c5ccccc5n34)cc2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3nnc4c5nnc(-c6ccc(N7c8ccccc8[Si](C)(C)c8ccccc87)cc6)n5c5ccccc5n34)cc2)c2ccccc21.c1ccc(C2(c3ccccc3)c3ccccc3N(c3ccc(-c4nnc5c6nnc(-c7ccc(N8c9ccccc9C(c9ccccc9)(c9ccccc9)c9ccccc98)cc7)n6c6ccccc6n45)cc3)c3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nnc3c4nnc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)n4c4ccccc4n23)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2nnc3c4nnc(-c5ccc(N6c7ccccc7Sc7ccccc76)cc5)n4c4ccccc4n23)cc1
InChIInChI=1S/C72H48N8.C52H40N8.C50H40N8Si2.C46H28N8O2.C46H28N8S2/c1-5-23-51(24-6-1)71(52-25-7-2-8-26-52)57-31-13-17-35-61(57)77(62-36-18-14-32-58(62)71)55-45-41-49(42-46-55)67-73-75-69-70-76-74-68(80(70)66-40-22-21-39-65(66)79(67)69)50-43-47-56(48-44-50)78-63-37-19-15-33-59(63)72(53-27-9-3-10-28-53,54-29-11-4-12-30-54)60-34-16-20-38-64(60)78;1-51(2)37-15-5-9-19-41(37)57(42-20-10-6-16-38(42)51)35-29-25-33(26-30-35)47-53-55-49-50-56-54-48(60(50)46-24-14-13-23-45(46)59(47)49)34-27-31-36(32-28-34)58-43-21-11-7-17-39(43)52(3,4)40-18-8-12-22-44(40)58;1-59(2)43-21-11-7-17-39(43)55(40-18-8-12-22-44(40)59)35-29-25-33(26-30-35)47-51-53-49-50-54-52-48(58(50)38-16-6-5-15-37(38)57(47)49)34-27-31-36(32-28-34)56-41-19-9-13-23-45(41)60(3,4)46-24-14-10-20-42(46)56;2*1-2-12-34-33(11-1)53-43(29-21-25-31(26-22-29)51-35-13-3-7-17-39(35)55-40-18-8-4-14-36(40)51)47-49-45(53)46-50-48-44(54(34)46)30-23-27-32(28-24-30)52-37-15-5-9-19-41(37)56-42-20-10-6-16-38(42)52/h1-48H;2*5-32H,1-4H3;2*1-28H
InChIKeyAYNZHJOHPQGHGB-UHFFFAOYSA-N
MW4092.98 g/mol
LogP62.08
Rot. Bonds24

About 3,10-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;5-[4-[10-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[10-(4-phenothiazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenothiazine;10-[4-[10-(4-phenoxazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine

3,10-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;5-[4-[10-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[10-(4-phenothiazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenothiazine;10-[4-[10-(4-phenoxazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine (PubChem CID 157271117) has the molecular formula C266H184N40O2S2Si2 and a molecular weight of 4092.98 g/mol. Its IUPAC name is 3,10-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;5-[4-[10-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[10-(4-phenothiazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenothiazine;10-[4-[10-(4-phenoxazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name3,10-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;5-[4-[10-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[10-(4-phenothiazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenothiazine;10-[4-[10-(4-phenoxazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine
PubChem CID157271117
Molecular FormulaC266H184N40O2S2Si2
Molecular Weight4092.98 g/mol
Exact Mass4089.45
IUPAC Name3,10-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;5-[4-[10-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[10-(4-phenothiazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenothiazine;10-[4-[10-(4-phenoxazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nnc4c5nnc(-c6ccc(N7c8ccccc8C(C)(C)c8ccccc87)cc6)n5c5ccccc5n34)cc2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3nnc4c5nnc(-c6ccc(N7c8ccccc8[Si](C)(C)c8ccccc87)cc6)n5c5ccccc5n34)cc2)c2ccccc21.c1ccc(C2(c3ccccc3)c3ccccc3N(c3ccc(-c4nnc5c6nnc(-c7ccc(N8c9ccccc9C(c9ccccc9)(c9ccccc9)c9ccccc98)cc7)n6c6ccccc6n45)cc3)c3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nnc3c4nnc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)n4c4ccccc4n23)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2nnc3c4nnc(-c5ccc(N6c7ccccc7Sc7ccccc76)cc5)n4c4ccccc4n23)cc1
InChIInChI=1S/C72H48N8.C52H40N8.C50H40N8Si2.C46H28N8O2.C46H28N8S2/c1-5-23-51(24-6-1)71(52-25-7-2-8-26-52)57-31-13-17-35-61(57)77(62-36-18-14-32-58(62)71)55-45-41-49(42-46-55)67-73-75-69-70-76-74-68(80(70)66-40-22-21-39-65(66)79(67)69)50-43-47-56(48-44-50)78-63-37-19-15-33-59(63)72(53-27-9-3-10-28-53,54-29-11-4-12-30-54)60-34-16-20-38-64(60)78;1-51(2)37-15-5-9-19-41(37)57(42-20-10-6-16-38(42)51)35-29-25-33(26-30-35)47-53-55-49-50-56-54-48(60(50)46-24-14-13-23-45(46)59(47)49)34-27-31-36(32-28-34)58-43-21-11-7-17-39(43)52(3,4)40-18-8-12-22-44(40)58;1-59(2)43-21-11-7-17-39(43)55(40-18-8-12-22-44(40)59)35-29-25-33(26-30-35)47-51-53-49-50-54-52-48(58(50)38-16-6-5-15-37(38)57(47)49)34-27-31-36(32-28-34)56-41-19-9-13-23-45(41)60(3,4)46-24-14-10-20-42(46)56;2*1-2-12-34-33(11-1)53-43(29-21-25-31(26-22-29)51-35-13-3-7-17-39(35)55-40-18-8-4-14-36(40)51)47-49-45(53)46-50-48-44(54(34)46)30-23-27-32(28-24-30)52-37-15-5-9-19-41(37)56-42-20-10-6-16-38(42)52/h1-48H;2*5-32H,1-4H3;2*1-28H
InChIKeyAYNZHJOHPQGHGB-UHFFFAOYSA-N
XLogP62.08
TPSA352.76 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds24
Heavy Atoms312
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004092.98
LogP ≤ 562.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 3,10-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;5-[4-[10-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[10-(4-phenothiazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenothiazine;10-[4-[10-(4-phenoxazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,10-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;5-[4-[10-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[10-(4-phenothiazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenothiazine;10-[4-[10-(4-phenoxazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine?
The IUPAC name of 3,10-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;5-[4-[10-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[10-(4-phenothiazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenothiazine;10-[4-[10-(4-phenoxazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine (CID 157271117) is 3,10-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;5-[4-[10-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[10-(4-phenothiazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenothiazine;10-[4-[10-(4-phenoxazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine.
What is the SMILES notation for 3,10-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;5-[4-[10-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[10-(4-phenothiazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenothiazine;10-[4-[10-(4-phenoxazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine?
The canonical SMILES for 3,10-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;5-[4-[10-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[10-(4-phenothiazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenothiazine;10-[4-[10-(4-phenoxazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine is CC1(C)c2ccccc2N(c2ccc(-c3nnc4c5nnc(-c6ccc(N7c8ccccc8C(C)(C)c8ccccc87)cc6)n5c5ccccc5n34)cc2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3nnc4c5nnc(-c6ccc(N7c8ccccc8[Si](C)(C)c8ccccc87)cc6)n5c5ccccc5n34)cc2)c2ccccc21.c1ccc(C2(c3ccccc3)c3ccccc3N(c3ccc(-c4nnc5c6nnc(-c7ccc(N8c9ccccc9C(c9ccccc9)(c9ccccc9)c9ccccc98)cc7)n6c6ccccc6n45)cc3)c3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nnc3c4nnc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)n4c4ccccc4n23)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2nnc3c4nnc(-c5ccc(N6c7ccccc7Sc7ccccc76)cc5)n4c4ccccc4n23)cc1.
What is the InChIKey of 3,10-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;5-[4-[10-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[10-(4-phenothiazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenothiazine;10-[4-[10-(4-phenoxazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine?
The InChIKey is AYNZHJOHPQGHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N8.C52H40N8.C50H40N8Si2.C46H28N8O2.C46H28N8S2/c1-5-23-51(24-6-1)71(52-25-7-2-8-26-52)57-31-13-17-35-61(57)77(62-36-18-14-32-58(62)71)55-45-41-49(42-46-55)67-73-75-69-70-76-74-68(80(70)66-40-22-21-39-65(66)79(67)69)50-43-47-56(48-44-50)78-63-37-19-15-33-59(63)72(53-27-9-3-10-28-53,54-29-11-4-12-30-54)60-34-16-20-38-64(60)78;1-51(2)37-15-5-9-19-41(37)57(42-20-10-6-16-38(42)51)35-29-25-33(26-30-35)47-53-55-49-50-56-54-48(60(50)46-24-14-13-23-45(46)59(47)49)34-27-31-36(32-28-34)58-43-21-11-7-17-39(43)52(3,4)40-18-8-12-22-44(40)58;1-59(2)43-21-11-7-17-39(43)55(40-18-8-12-22-44(40)59)35-29-25-33(26-30-35)47-51-53-49-50-54-52-48(58(50)38-16-6-5-15-37(38)57(47)49)34-27-31-36(32-28-34)56-41-19-9-13-23-45(41)60(3,4)46-24-14-10-20-42(46)56;2*1-2-12-34-33(11-1)53-43(29-21-25-31(26-22-29)51-35-13-3-7-17-39(35)55-40-18-8-4-14-36(40)51)47-49-45(53)46-50-48-44(54(34)46)30-23-27-32(28-24-30)52-37-15-5-9-19-41(37)56-42-20-10-6-16-38(42)52/h1-48H;2*5-32H,1-4H3;2*1-28H.
What are the key properties of 3,10-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;5-[4-[10-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[10-(4-phenothiazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenothiazine;10-[4-[10-(4-phenoxazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine?
3,10-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;5-[4-[10-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[10-(4-phenothiazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenothiazine;10-[4-[10-(4-phenoxazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine has a molecular weight of 4092.98 g/mol, XLogP of 62.08, 24 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;5-[4-[10-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[10-(4-phenothiazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenothiazine;10-[4-[10-(4-phenoxazin-10-ylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]phenyl]phenoxazine is sourced from PubChem (CID 157271117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).