5-[3-[3-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenazine

C278H188N36O2S2Si2 — CID 157165449

IUPAC5-[3-[3-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenazine
SMILESC[Si]1(C)c2ccccc2N(c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5cccnc5)n4)cc(N4c5ccccc5[Si](C)(C)c5ccccc54)c3)cc(-c3cc(-c4ccccn4)nc(-c4cccnc4)n3)c2)c2ccccc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1.c1ccc(N2c3ccccc3N(c3cc(-c4cc(-c5cc(-c6ccccn6)nc(-c6cccnc6)n5)cc(N5c6ccccc6N(c6ccccc6)c6ccccc65)c4)cc(-c4cc(-c5ccccn5)nc(-c5cccnc5)n4)c3)c3ccccc32)cc1
InChIInChI=1S/C76H50N12.C68H52N10Si2.C68H44N6OS.C66H42N8OS/c1-3-23-57(24-4-1)85-67-29-7-11-33-71(67)87(72-34-12-8-30-68(72)85)59-43-53(41-55(45-59)63-47-65(61-27-15-17-39-79-61)83-75(81-63)51-21-19-37-77-49-51)54-42-56(64-48-66(62-28-16-18-40-80-62)84-76(82-64)52-22-20-38-78-50-52)46-60(44-54)88-73-35-13-9-31-69(73)86(58-25-5-2-6-26-58)70-32-10-14-36-74(70)88;1-79(2)63-27-9-5-23-59(63)77(60-24-6-10-28-64(60)79)51-37-47(35-49(39-51)55-41-57(53-21-13-15-33-71-53)75-67(73-55)45-19-17-31-69-43-45)48-36-50(56-42-58(54-22-14-16-34-72-54)76-68(74-56)46-20-18-32-70-44-46)40-52(38-48)78-61-25-7-11-29-65(61)80(3,4)66-30-12-8-26-62(66)78;1-5-21-45(22-6-1)55-43-56(46-23-7-2-8-24-46)70-67(69-55)51-37-49(39-53(41-51)73-59-29-13-17-33-63(59)75-64-34-18-14-30-60(64)73)50-38-52(42-54(40-50)74-61-31-15-19-35-65(61)76-66-36-20-16-32-62(66)74)68-71-57(47-25-9-3-10-26-47)44-58(72-68)48-27-11-4-12-28-48;1-5-21-43(22-6-1)61-67-62(44-23-7-2-8-24-44)70-65(69-61)49-37-47(39-51(41-49)73-53-29-13-17-33-57(53)75-58-34-18-14-30-54(58)73)48-38-50(42-52(40-48)74-55-31-15-19-35-59(55)76-60-36-20-16-32-56(60)74)66-71-63(45-25-9-3-10-26-45)68-64(72-66)46-27-11-4-12-28-46/h1-50H;5-44H,1-4H3;1-44H;1-42H
InChIKeyAMVXWOHYRNXMHH-UHFFFAOYSA-N
MW4185.12 g/mol
LogP68.43
Rot. Bonds38

About 5-[3-[3-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenazine

5-[3-[3-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenazine (PubChem CID 157165449) has the molecular formula C278H188N36O2S2Si2 and a molecular weight of 4185.12 g/mol. Its IUPAC name is 5-[3-[3-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenazine.

Molecular Properties

Compound Name5-[3-[3-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenazine
PubChem CID157165449
Molecular FormulaC278H188N36O2S2Si2
Molecular Weight4185.12 g/mol
Exact Mass4181.47
IUPAC Name5-[3-[3-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenazine
SMILESC[Si]1(C)c2ccccc2N(c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5cccnc5)n4)cc(N4c5ccccc5[Si](C)(C)c5ccccc54)c3)cc(-c3cc(-c4ccccn4)nc(-c4cccnc4)n3)c2)c2ccccc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1.c1ccc(N2c3ccccc3N(c3cc(-c4cc(-c5cc(-c6ccccn6)nc(-c6cccnc6)n5)cc(N5c6ccccc6N(c6ccccc6)c6ccccc65)c4)cc(-c4cc(-c5ccccn5)nc(-c5cccnc5)n4)c3)c3ccccc32)cc1
InChIInChI=1S/C76H50N12.C68H52N10Si2.C68H44N6OS.C66H42N8OS/c1-3-23-57(24-4-1)85-67-29-7-11-33-71(67)87(72-34-12-8-30-68(72)85)59-43-53(41-55(45-59)63-47-65(61-27-15-17-39-79-61)83-75(81-63)51-21-19-37-77-49-51)54-42-56(64-48-66(62-28-16-18-40-80-62)84-76(82-64)52-22-20-38-78-50-52)46-60(44-54)88-73-35-13-9-31-69(73)86(58-25-5-2-6-26-58)70-32-10-14-36-74(70)88;1-79(2)63-27-9-5-23-59(63)77(60-24-6-10-28-64(60)79)51-37-47(35-49(39-51)55-41-57(53-21-13-15-33-71-53)75-67(73-55)45-19-17-31-69-43-45)48-36-50(56-42-58(54-22-14-16-34-72-54)76-68(74-56)46-20-18-32-70-44-46)40-52(38-48)78-61-25-7-11-29-65(61)80(3,4)66-30-12-8-26-62(66)78;1-5-21-45(22-6-1)55-43-56(46-23-7-2-8-24-46)70-67(69-55)51-37-49(39-53(41-51)73-59-29-13-17-33-63(59)75-64-34-18-14-30-60(64)73)50-38-52(42-54(40-50)74-61-31-15-19-35-65(61)76-66-36-20-16-32-62(66)74)68-71-57(47-25-9-3-10-26-47)44-58(72-68)48-27-11-4-12-28-48;1-5-21-43(22-6-1)61-67-62(44-23-7-2-8-24-44)70-65(69-61)49-37-47(39-51(41-49)73-53-29-13-17-33-57(53)75-58-34-18-14-30-54(58)73)48-38-50(42-52(40-48)74-55-31-15-19-35-59(55)76-60-36-20-16-32-56(60)74)66-71-63(45-25-9-3-10-26-45)68-64(72-66)46-27-11-4-12-28-46/h1-50H;5-44H,1-4H3;1-44H;1-42H
InChIKeyAMVXWOHYRNXMHH-UHFFFAOYSA-N
XLogP68.43
TPSA386.00 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds38
Heavy Atoms320
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004185.12
LogP ≤ 568.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 5-[3-[3-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenazine?
The IUPAC name of 5-[3-[3-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenazine (CID 157165449) is 5-[3-[3-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenazine.
What is the SMILES notation for 5-[3-[3-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenazine?
The canonical SMILES for 5-[3-[3-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenazine is C[Si]1(C)c2ccccc2N(c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5cccnc5)n4)cc(N4c5ccccc5[Si](C)(C)c5ccccc54)c3)cc(-c3cc(-c4ccccn4)nc(-c4cccnc4)n3)c2)c2ccccc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1.c1ccc(N2c3ccccc3N(c3cc(-c4cc(-c5cc(-c6ccccn6)nc(-c6cccnc6)n5)cc(N5c6ccccc6N(c6ccccc6)c6ccccc65)c4)cc(-c4cc(-c5ccccn5)nc(-c5cccnc5)n4)c3)c3ccccc32)cc1.
What is the InChIKey of 5-[3-[3-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenazine?
The InChIKey is AMVXWOHYRNXMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N12.C68H52N10Si2.C68H44N6OS.C66H42N8OS/c1-3-23-57(24-4-1)85-67-29-7-11-33-71(67)87(72-34-12-8-30-68(72)85)59-43-53(41-55(45-59)63-47-65(61-27-15-17-39-79-61)83-75(81-63)51-21-19-37-77-49-51)54-42-56(64-48-66(62-28-16-18-40-80-62)84-76(82-64)52-22-20-38-78-50-52)46-60(44-54)88-73-35-13-9-31-69(73)86(58-25-5-2-6-26-58)70-32-10-14-36-74(70)88;1-79(2)63-27-9-5-23-59(63)77(60-24-6-10-28-64(60)79)51-37-47(35-49(39-51)55-41-57(53-21-13-15-33-71-53)75-67(73-55)45-19-17-31-69-43-45)48-36-50(56-42-58(54-22-14-16-34-72-54)76-68(74-56)46-20-18-32-70-44-46)40-52(38-48)78-61-25-7-11-29-65(61)80(3,4)66-30-12-8-26-62(66)78;1-5-21-45(22-6-1)55-43-56(46-23-7-2-8-24-46)70-67(69-55)51-37-49(39-53(41-51)73-59-29-13-17-33-63(59)75-64-34-18-14-30-60(64)73)50-38-52(42-54(40-50)74-61-31-15-19-35-65(61)76-66-36-20-16-32-62(66)74)68-71-57(47-25-9-3-10-26-47)44-58(72-68)48-27-11-4-12-28-48;1-5-21-43(22-6-1)61-67-62(44-23-7-2-8-24-44)70-65(69-61)49-37-47(39-51(41-49)73-53-29-13-17-33-57(53)75-58-34-18-14-30-54(58)73)48-38-50(42-52(40-48)74-55-31-15-19-35-59(55)76-60-36-20-16-32-56(60)74)66-71-63(45-25-9-3-10-26-45)68-64(72-66)46-27-11-4-12-28-46/h1-50H;5-44H,1-4H3;1-44H;1-42H.
What are the key properties of 5-[3-[3-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenazine?
5-[3-[3-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenazine has a molecular weight of 4185.12 g/mol, XLogP of 68.43, 38 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[3-[3-(10-phenylphenazin-5-yl)-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenazine is sourced from PubChem (CID 157165449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).