4-chloro-2,6-diphenylpyrimidine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline

C136H121B2ClN10O4Si4 — CID 157131572

IUPAC4-chloro-2,6-diphenylpyrimidine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
SMILESCC1(C)OB(c2cc(N3c4ccccc4[Si](C)(C)c4ccccc43)cc3c(B4OC(C)(C)C(C)(C)O4)cc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc23)OC1(C)C.C[Si]1(C)c2ccccc2N(c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c3cc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c2ccccc21.Clc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C70H54N6Si2.C50H56B2N2O4Si2.C16H11ClN2/c1-77(2)65-37-21-17-33-61(65)75(62-34-18-22-38-66(62)77)51-41-53-54(55(43-51)59-45-57(47-25-9-5-10-26-47)71-69(73-59)49-29-13-7-14-30-49)42-52(76-63-35-19-23-39-67(63)78(3,4)68-40-24-20-36-64(68)76)44-56(53)60-46-58(48-27-11-6-12-28-48)72-70(74-60)50-31-15-8-16-32-50;1-47(2)48(3,4)56-51(55-47)37-31-33(53-39-21-13-17-25-43(39)59(9,10)44-26-18-14-22-40(44)53)30-36-35(37)29-34(32-38(36)52-57-49(5,6)50(7,8)58-52)54-41-23-15-19-27-45(41)60(11,12)46-28-20-16-24-42(46)54;17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h5-46H,1-4H3;13-32H,1-12H3;1-11H
InChIKeyAJDGPZHEBJCLPZ-UHFFFAOYSA-N
MW2128.95 g/mol
LogP28.75
Rot. Bonds14

About 4-chloro-2,6-diphenylpyrimidine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline

4-chloro-2,6-diphenylpyrimidine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline (PubChem CID 157131572) has the molecular formula C136H121B2ClN10O4Si4 and a molecular weight of 2128.95 g/mol. Its IUPAC name is 4-chloro-2,6-diphenylpyrimidine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name4-chloro-2,6-diphenylpyrimidine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
PubChem CID157131572
Molecular FormulaC136H121B2ClN10O4Si4
Molecular Weight2128.95 g/mol
Exact Mass2126.85
IUPAC Name4-chloro-2,6-diphenylpyrimidine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
SMILESCC1(C)OB(c2cc(N3c4ccccc4[Si](C)(C)c4ccccc43)cc3c(B4OC(C)(C)C(C)(C)O4)cc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc23)OC1(C)C.C[Si]1(C)c2ccccc2N(c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c3cc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c2ccccc21.Clc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C70H54N6Si2.C50H56B2N2O4Si2.C16H11ClN2/c1-77(2)65-37-21-17-33-61(65)75(62-34-18-22-38-66(62)77)51-41-53-54(55(43-51)59-45-57(47-25-9-5-10-26-47)71-69(73-59)49-29-13-7-14-30-49)42-52(76-63-35-19-23-39-67(63)78(3,4)68-40-24-20-36-64(68)76)44-56(53)60-46-58(48-27-11-6-12-28-48)72-70(74-60)50-31-15-8-16-32-50;1-47(2)48(3,4)56-51(55-47)37-31-33(53-39-21-13-17-25-43(39)59(9,10)44-26-18-14-22-40(44)53)30-36-35(37)29-34(32-38(36)52-57-49(5,6)50(7,8)58-52)54-41-23-15-19-27-45(41)60(11,12)46-28-20-16-24-42(46)54;17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h5-46H,1-4H3;13-32H,1-12H3;1-11H
InChIKeyAJDGPZHEBJCLPZ-UHFFFAOYSA-N
XLogP28.75
TPSA127.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002128.95
LogP ≤ 528.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-chloro-2,6-diphenylpyrimidine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline with MolForge

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Related Compounds

5-[6-(10,10-Dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140793854
5-[6-(10,10-Dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140793855
4-Chloro-2,6-diphenylpyrimidine;4-[5-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine;4,4,5,5-tetramethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]-1,3,2-dioxaborolane
CID 157356507
3-(6-Chloro-2-phenylpyrimidin-4-yl)benzonitrile;13-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 157381354
4-Chloro-2,6-diphenylpyrimidine;2-[10-(2,6-diphenylpyrimidin-4-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,5-triazine
CID 157469781
1,7-Dichloro-3,9-dimethylquinolino[8,7-h]quinoline;3,9-dimethyl-1,7-bis(3-pyrimidin-2-ylphenyl)quinolino[8,7-h]quinoline;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 157577710
CID 157621517
CID 157621517
4-Chloro-2,6-diphenylpyrimidine;4-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-2,6-diphenylpyrimidine;2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157636670
Deuterium monohydride;2,4-dichloro-6-naphthalen-1-ylpyrimidine;1-[4-[2-(4-isoquinolin-1-ylphenyl)-6-naphthalen-1-ylpyrimidin-4-yl]phenyl]isoquinoline;methane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]isoquinoline
CID 157677254
4-Chloro-2-phenylquinazoline;22-[4-(2-phenylquinazolin-4-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 157822969
4-Chloro-2-phenylquinazoline;methane;22-[3-(2-phenylquinazolin-4-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 157962758
2-Chloro-4,6-diphenyl-1,3,5-triazine;2-(3-chloro-4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-chloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(4,6-diphenylpyrimidin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine;4,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;hydroiodide
CID 157999690

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-diphenylpyrimidine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
The IUPAC name of 4-chloro-2,6-diphenylpyrimidine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline (CID 157131572) is 4-chloro-2,6-diphenylpyrimidine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 4-chloro-2,6-diphenylpyrimidine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 4-chloro-2,6-diphenylpyrimidine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline is CC1(C)OB(c2cc(N3c4ccccc4[Si](C)(C)c4ccccc43)cc3c(B4OC(C)(C)C(C)(C)O4)cc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc23)OC1(C)C.C[Si]1(C)c2ccccc2N(c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c3cc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c2ccccc21.Clc1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-2,6-diphenylpyrimidine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
The InChIKey is AJDGPZHEBJCLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H54N6Si2.C50H56B2N2O4Si2.C16H11ClN2/c1-77(2)65-37-21-17-33-61(65)75(62-34-18-22-38-66(62)77)51-41-53-54(55(43-51)59-45-57(47-25-9-5-10-26-47)71-69(73-59)49-29-13-7-14-30-49)42-52(76-63-35-19-23-39-67(63)78(3,4)68-40-24-20-36-64(68)76)44-56(53)60-46-58(48-27-11-6-12-28-48)72-70(74-60)50-31-15-8-16-32-50;1-47(2)48(3,4)56-51(55-47)37-31-33(53-39-21-13-17-25-43(39)59(9,10)44-26-18-14-22-40(44)53)30-36-35(37)29-34(32-38(36)52-57-49(5,6)50(7,8)58-52)54-41-23-15-19-27-45(41)60(11,12)46-28-20-16-24-42(46)54;17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h5-46H,1-4H3;13-32H,1-12H3;1-11H.
What are the key properties of 4-chloro-2,6-diphenylpyrimidine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
4-chloro-2,6-diphenylpyrimidine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline has a molecular weight of 2128.95 g/mol, XLogP of 28.75, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-diphenylpyrimidine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 157131572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).