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

C258H176N40O2S2Si2 — CID 161103090

About 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

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 (PubChem CID 161103090) has the molecular formula C258H176N40O2S2Si2 and a molecular weight of 3988.83 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161103090
• Molecular Formula: C258H176N40O2S2Si2
• Molecular Weight: 3988.83 g/mol
• Exact Mass: 3985.39
• IUPAC Name: 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
• SMILES: CC1(C)c2ccccc2N(c2cc(-c3nc(-c4cccnc4)cc(-c4ccccn4)n3)cc3c(N4c5ccccc5C(C)(C)c5ccccc54)cc(-c4nc(-c5cccnc5)cc(-c5ccccn5)n4)cc23)c2ccccc21.C[Si]1(C)c2ccccc2N(c2cc(-c3nc(-c4cccnc4)cc(-c4ccccn4)n3)cc3c(N4c5ccccc5[Si](C)(C)c5ccccc54)cc(-c4nc(-c5cccnc5)cc(-c5ccccn5)n4)cc23)c2ccccc21.c1ccc(-c2cc(-c3cccnc3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)c4cc(-c5nc(-c6cccnc6)cc(-c6ccccn6)n5)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1.c1ccc(-c2cc(-c3cccnc3)nc(-c3cc(N4c5ccccc5Sc5ccccc54)c4cc(-c5nc(-c6cccnc6)cc(-c6ccccn6)n5)cc(N5c6ccccc6Sc6ccccc65)c4c3)n2)nc1
• InChI: InChI=1S/C68H50N10.C66H50N10Si2.C62H38N10O2.C62H38N10S2/c1-67(2)49-21-5-9-27-59(49)77(60-28-10-6-22-50(60)67)63-37-45(65-73-55(43-19-17-31-69-41-43)39-57(75-65)53-25-13-15-33-71-53)36-48-47(63)35-46(66-74-56(44-20-18-32-70-42-44)40-58(76-66)54-26-14-16-34-72-54)38-64(48)78-61-29-11-7-23-51(61)68(3,4)52-24-8-12-30-62(52)78;1-77(2)61-27-9-5-23-55(61)75(56-24-6-10-28-62(56)77)59-37-45(65-71-51(43-19-17-31-67-41-43)39-53(73-65)49-21-13-15-33-69-49)36-48-47(59)35-46(66-72-52(44-20-18-32-68-42-44)40-54(74-66)50-22-14-16-34-70-50)38-60(48)76-57-25-7-11-29-63(57)78(3,4)64-30-12-8-26-58(64)76;2*1-5-23-57-51(19-1)71(52-20-2-6-24-58(52)73-57)55-33-41(61-67-47(39-15-13-27-63-37-39)35-49(69-61)45-17-9-11-29-65-45)32-44-43(55)31-42(34-56(44)72-53-21-3-7-25-59(53)74-60-26-8-4-22-54(60)72)62-68-48(40-16-14-28-64-38-40)36-50(70-62)46-18-10-12-30-66-46/h2*5-42H,1-4H3;2*1-38H
• InChIKey: UIROJOHMIHISBU-UHFFFAOYSA-N
• XLogP: 60.46
• TPSA: 456.86 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 32
• Heavy Atoms: 304
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3988.83
LogP ≤ 5	60.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1(C)c2ccccc2N(c2cc(-c3nc(-c4cccnc4)cc(-c4ccccn4)n3)cc3c(N4c5ccccc5C(C)(C)c5ccccc54)cc(-c4nc(-c5cccnc5)cc(-c5ccccn5)n4)cc23)c2ccccc21.C[Si]1(C)c2ccccc2N(c2cc(-c3nc(-c4cccnc4)cc(-c4ccccn4)n3)cc3c(N4c5ccccc5[Si](C)(C)c5ccccc54)cc(-c4nc(-c5cccnc5)cc(-c5ccccn5)n4)cc23)c2ccccc21.c1ccc(-c2cc(-c3cccnc3)nc(-c3cc(N4c5ccccc5Oc5ccccc54)c4cc(-c5nc(-c6cccnc6)cc(-c6ccccn6)n5)cc(N5c6ccccc6Oc6ccccc65)c4c3)n2)nc1.c1ccc(-c2cc(-c3cccnc3)nc(-c3cc(N4c5ccccc5Sc5ccccc54)c4cc(-c5nc(-c6cccnc6)cc(-c6ccccn6)n5)cc(N5c6ccccc6Sc6ccccc65)c4c3)n2)nc1.

What is the InChIKey of 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?

The InChIKey is UIROJOHMIHISBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50N10.C66H50N10Si2.C62H38N10O2.C62H38N10S2/c1-67(2)49-21-5-9-27-59(49)77(60-28-10-6-22-50(60)67)63-37-45(65-73-55(43-19-17-31-69-41-43)39-57(75-65)53-25-13-15-33-71-53)36-48-47(63)35-46(66-74-56(44-20-18-32-70-42-44)40-58(76-66)54-26-14-16-34-72-54)38-64(48)78-61-29-11-7-23-51(61)68(3,4)52-24-8-12-30-62(52)78;1-77(2)61-27-9-5-23-55(61)75(56-24-6-10-28-62(56)77)59-37-45(65-71-51(43-19-17-31-67-41-43)39-53(73-65)49-21-13-15-33-69-49)36-48-47(59)35-46(66-72-52(44-20-18-32-68-42-44)40-54(74-66)50-22-14-16-34-70-50)38-60(48)76-57-25-7-11-29-63(57)78(3,4)64-30-12-8-26-58(64)76;2*1-5-23-57-51(19-1)71(52-20-2-6-24-58(52)73-57)55-33-41(61-67-47(39-15-13-27-63-37-39)35-49(69-61)45-17-9-11-29-65-45)32-44-43(55)31-42(34-56(44)72-53-21-3-7-25-59(53)74-60-26-8-4-22-54(60)72)62-68-48(40-16-14-28-64-38-40)36-50(70-62)46-18-10-12-30-66-46/h2*5-42H,1-4H3;2*1-38H.

What are the key properties of 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?

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 has a molecular weight of 3988.83 g/mol, XLogP of 60.46, 32 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161103090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).