10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(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-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine

C266H184N40O2S2Si2 — CID 159871347

IUPAC10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(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-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2cc(-c3cc(-c4ccccn4)nc(-c4cccnc4)n3)ccc2-c2ccc(-c3cc(-c4ccccn4)nc(-c4cccnc4)n3)cc2N2c3ccccc3C(C)(C)c3ccccc32)c2ccccc21.C[Si]1(C)c2ccccc2N(c2cc(-c3cc(-c4ccccn4)nc(-c4cccnc4)n3)ccc2-c2ccc(-c3cc(-c4ccccn4)nc(-c4cccnc4)n3)cc2N2c3ccccc3[Si](C)(C)c3ccccc32)c2ccccc21.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6cccnc6)n5)cc4N4c5ccccc5Sc5ccccc54)c(N4c5ccccc5Sc5ccccc54)c3)nc(-c3cccnc3)n2)nc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc(-c6cccnc6)nc(-c6ccccn6)n5)cc4N4c5ccccc5Oc5ccccc54)c(N4c5ccccc5Oc5ccccc54)c3)nc(-c3cccnc3)n2)nc1
InChIInChI=1S/C70H52N10.C68H52N10Si2.C64H40N10O2.C64H40N10S2/c1-69(2)51-21-5-9-27-61(51)79(62-28-10-6-22-52(62)69)65-39-45(57-41-59(55-25-13-15-37-73-55)77-67(75-57)47-19-17-35-71-43-47)31-33-49(65)50-34-32-46(58-42-60(56-26-14-16-38-74-56)78-68(76-58)48-20-18-36-72-44-48)40-66(50)80-63-29-11-7-23-53(63)70(3,4)54-24-8-12-30-64(54)80;1-79(2)63-27-9-5-23-57(63)77(58-24-6-10-28-64(58)79)61-39-45(53-41-55(51-21-13-15-37-71-51)75-67(73-53)47-19-17-35-69-43-47)31-33-49(61)50-34-32-46(54-42-56(52-22-14-16-38-72-52)76-68(74-54)48-20-18-36-70-44-48)40-62(50)78-59-25-7-11-29-65(59)80(3,4)66-30-12-8-26-60(66)78;1-5-23-59-53(19-1)73(54-20-2-6-24-60(54)75-59)57-35-41(49-37-51(43-15-13-31-65-39-43)71-64(70-49)48-18-10-12-34-68-48)27-29-45(57)46-30-28-42(36-58(46)74-55-21-3-7-25-61(55)76-62-26-8-4-22-56(62)74)50-38-52(47-17-9-11-33-67-47)72-63(69-50)44-16-14-32-66-40-44;1-5-23-59-53(19-1)73(54-20-2-6-24-60(54)75-59)57-35-41(49-37-51(47-17-9-11-33-67-47)71-63(69-49)43-15-13-31-65-39-43)27-29-45(57)46-30-28-42(36-58(46)74-55-21-3-7-25-61(55)76-62-26-8-4-22-56(62)74)50-38-52(48-18-10-12-34-68-48)72-64(70-50)44-16-14-32-66-40-44/h2*5-44H,1-4H3;2*1-40H
InChIKeyNSJQQVMMDWFOFA-UHFFFAOYSA-N
MW4092.98 g/mol
LogP62.51
Rot. Bonds36

About 10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(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-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine

10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(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-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine (PubChem CID 159871347) has the molecular formula C266H184N40O2S2Si2 and a molecular weight of 4092.98 g/mol. Its IUPAC name is 10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(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-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(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-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine
PubChem CID159871347
Molecular FormulaC266H184N40O2S2Si2
Molecular Weight4092.98 g/mol
Exact Mass4089.45
IUPAC Name10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(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-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2cc(-c3cc(-c4ccccn4)nc(-c4cccnc4)n3)ccc2-c2ccc(-c3cc(-c4ccccn4)nc(-c4cccnc4)n3)cc2N2c3ccccc3C(C)(C)c3ccccc32)c2ccccc21.C[Si]1(C)c2ccccc2N(c2cc(-c3cc(-c4ccccn4)nc(-c4cccnc4)n3)ccc2-c2ccc(-c3cc(-c4ccccn4)nc(-c4cccnc4)n3)cc2N2c3ccccc3[Si](C)(C)c3ccccc32)c2ccccc21.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6cccnc6)n5)cc4N4c5ccccc5Sc5ccccc54)c(N4c5ccccc5Sc5ccccc54)c3)nc(-c3cccnc3)n2)nc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc(-c6cccnc6)nc(-c6ccccn6)n5)cc4N4c5ccccc5Oc5ccccc54)c(N4c5ccccc5Oc5ccccc54)c3)nc(-c3cccnc3)n2)nc1
InChIInChI=1S/C70H52N10.C68H52N10Si2.C64H40N10O2.C64H40N10S2/c1-69(2)51-21-5-9-27-61(51)79(62-28-10-6-22-52(62)69)65-39-45(57-41-59(55-25-13-15-37-73-55)77-67(75-57)47-19-17-35-71-43-47)31-33-49(65)50-34-32-46(58-42-60(56-26-14-16-38-74-56)78-68(76-58)48-20-18-36-72-44-48)40-66(50)80-63-29-11-7-23-53(63)70(3,4)54-24-8-12-30-64(54)80;1-79(2)63-27-9-5-23-57(63)77(58-24-6-10-28-64(58)79)61-39-45(53-41-55(51-21-13-15-37-71-51)75-67(73-53)47-19-17-35-69-43-47)31-33-49(61)50-34-32-46(54-42-56(52-22-14-16-38-72-52)76-68(74-54)48-20-18-36-70-44-48)40-62(50)78-59-25-7-11-29-65(59)80(3,4)66-30-12-8-26-60(66)78;1-5-23-59-53(19-1)73(54-20-2-6-24-60(54)75-59)57-35-41(49-37-51(43-15-13-31-65-39-43)71-64(70-49)48-18-10-12-34-68-48)27-29-45(57)46-30-28-42(36-58(46)74-55-21-3-7-25-61(55)76-62-26-8-4-22-56(62)74)50-38-52(47-17-9-11-33-67-47)72-63(69-50)44-16-14-32-66-40-44;1-5-23-59-53(19-1)73(54-20-2-6-24-60(54)75-59)57-35-41(49-37-51(47-17-9-11-33-67-47)71-63(69-49)43-15-13-31-65-39-43)27-29-45(57)46-30-28-42(36-58(46)74-55-21-3-7-25-61(55)76-62-26-8-4-22-56(62)74)50-38-52(48-18-10-12-34-68-48)72-64(70-50)44-16-14-32-66-40-44/h2*5-44H,1-4H3;2*1-40H
InChIKeyNSJQQVMMDWFOFA-UHFFFAOYSA-N
XLogP62.51
TPSA456.86 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds36
Heavy Atoms312
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004092.98
LogP ≤ 562.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(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-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine with MolForge

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Related Compounds

10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylacridine;5-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[5-phenothiazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenothiazine;10-[5-phenoxazin-10-yl-3,7-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)naphthalen-1-yl]phenoxazine
CID 161103090
5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-10-yl-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine
CID 161045076
10-[3-[3,5-bis(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-[3,5-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine
CID 158333757
10-[5-phenoxazin-10-yl-3-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-7-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenoxazine
CID 129290650
10-[5-(9,9-dimethylacridin-10-yl)-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]-9,9-dimethylacridine;5-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[5-phenothiazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenothiazine;10-[5-phenoxazin-10-yl-3-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 158237204
5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140793750
10-[8-(2,6-diphenyl-4-pyridinyl)dibenzo-p-dioxin-2-yl]-9,9-dimethylacridine;10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]-9,9-dimethylacridine;5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]-9,9-dimethyl-10-phenylacridine;10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]phenothiazine;10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]phenoxazine;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]-10-phenylphenoxazine
CID 158258534
5-(9,9-dimethylacridin-10-yl)-2-phenylisoindole-1,3-dione;5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione;5-phenoxazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione
CID 158097074
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140793866
10-[4,8-bis(4,6-diphenylpyrimidin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine;10-[6-(9,9-dimethylacridin-10-yl)-4,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylacridine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 158798738
10-[3-[3-phenothiazin-10-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]phenothiazine
CID 129291643
10-[4-[4-(9H-acridin-10-yl)-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine
CID 129291758

Frequently Asked Questions

What is the IUPAC name of 10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(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-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine?
The IUPAC name of 10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(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-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine (CID 159871347) is 10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(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-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(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-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(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-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine is CC1(C)c2ccccc2N(c2cc(-c3cc(-c4ccccn4)nc(-c4cccnc4)n3)ccc2-c2ccc(-c3cc(-c4ccccn4)nc(-c4cccnc4)n3)cc2N2c3ccccc3C(C)(C)c3ccccc32)c2ccccc21.C[Si]1(C)c2ccccc2N(c2cc(-c3cc(-c4ccccn4)nc(-c4cccnc4)n3)ccc2-c2ccc(-c3cc(-c4ccccn4)nc(-c4cccnc4)n3)cc2N2c3ccccc3[Si](C)(C)c3ccccc32)c2ccccc21.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6cccnc6)n5)cc4N4c5ccccc5Sc5ccccc54)c(N4c5ccccc5Sc5ccccc54)c3)nc(-c3cccnc3)n2)nc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc(-c6cccnc6)nc(-c6ccccn6)n5)cc4N4c5ccccc5Oc5ccccc54)c(N4c5ccccc5Oc5ccccc54)c3)nc(-c3cccnc3)n2)nc1.
What is the InChIKey of 10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(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-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine?
The InChIKey is NSJQQVMMDWFOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H52N10.C68H52N10Si2.C64H40N10O2.C64H40N10S2/c1-69(2)51-21-5-9-27-61(51)79(62-28-10-6-22-52(62)69)65-39-45(57-41-59(55-25-13-15-37-73-55)77-67(75-57)47-19-17-35-71-43-47)31-33-49(65)50-34-32-46(58-42-60(56-26-14-16-38-74-56)78-68(76-58)48-20-18-36-72-44-48)40-66(50)80-63-29-11-7-23-53(63)70(3,4)54-24-8-12-30-64(54)80;1-79(2)63-27-9-5-23-57(63)77(58-24-6-10-28-64(58)79)61-39-45(53-41-55(51-21-13-15-37-71-51)75-67(73-53)47-19-17-35-69-43-47)31-33-49(61)50-34-32-46(54-42-56(52-22-14-16-38-72-52)76-68(74-54)48-20-18-36-70-44-48)40-62(50)78-59-25-7-11-29-65(59)80(3,4)66-30-12-8-26-60(66)78;1-5-23-59-53(19-1)73(54-20-2-6-24-60(54)75-59)57-35-41(49-37-51(43-15-13-31-65-39-43)71-64(70-49)48-18-10-12-34-68-48)27-29-45(57)46-30-28-42(36-58(46)74-55-21-3-7-25-61(55)76-62-26-8-4-22-56(62)74)50-38-52(47-17-9-11-33-67-47)72-63(69-50)44-16-14-32-66-40-44;1-5-23-59-53(19-1)73(54-20-2-6-24-60(54)75-59)57-35-41(49-37-51(47-17-9-11-33-67-47)71-63(69-49)43-15-13-31-65-39-43)27-29-45(57)46-30-28-42(36-58(46)74-55-21-3-7-25-61(55)76-62-26-8-4-22-56(62)74)50-38-52(48-18-10-12-34-68-48)72-64(70-50)44-16-14-32-66-40-44/h2*5-44H,1-4H3;2*1-40H.
What are the key properties of 10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(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-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine?
10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(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-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine has a molecular weight of 4092.98 g/mol, XLogP of 62.51, 36 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[2-(9,9-dimethylacridin-10-yl)-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine;5-[2-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4-(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-[2-[2-phenothiazin-10-yl-4-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine;10-[2-[2-phenoxazin-10-yl-4-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenoxazine is sourced from PubChem (CID 159871347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).