2,5-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-1,3,4-oxadiazole;2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;[6-(dimethylsilylmethyl)-9-[4-[5-[4-[3-(dimethylsilylmethyl)-6-methylcarbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-yl]-trimethylsilane

C120H114N12O3Si7 — CID 158105658

IUPAC2,5-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-1,3,4-oxadiazole;2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;[6-(dimethylsilylmethyl)-9-[4-[5-[4-[3-(dimethylsilylmethyl)-6-methylcarbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-yl]-trimethylsilane
SMILESC[Si]1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)o3)cc2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2nnc(N3c4ccccc4[Si](C)(C)c4ccccc43)o2)c2ccccc21.Cc1ccc2c(c1)c1cc(C[SiH](C)C)ccc1n2-c1ccc(-c2nnc(-c3ccc(-n4c5ccc(C[SiH](C)C)cc5c5cc([Si](C)(C)C)ccc54)cc3)o2)cc1
InChIInChI=1S/C48H50N4OSi3.C42H36N4OSi2.C30H28N4OSi2/c1-31-9-21-43-39(25-31)40-26-32(29-54(2)3)10-22-44(40)51(43)36-16-12-34(13-17-36)47-49-50-48(53-47)35-14-18-37(19-15-35)52-45-23-11-33(30-55(4)5)27-41(45)42-28-38(56(6,7)8)20-24-46(42)52;1-48(2)37-17-9-5-13-33(37)45(34-14-6-10-18-38(34)48)31-25-21-29(22-26-31)41-43-44-42(47-41)30-23-27-32(28-24-30)46-35-15-7-11-19-39(35)49(3,4)40-20-12-8-16-36(40)46;1-36(2)25-17-9-5-13-21(25)33(22-14-6-10-18-26(22)36)29-31-32-30(35-29)34-23-15-7-11-19-27(23)37(3,4)28-20-12-8-16-24(28)34/h9-28,54-55H,29-30H2,1-8H3;5-28H,1-4H3;5-20H,1-4H3
InChIKeyFPUGWCWHUFDQJS-UHFFFAOYSA-N
MW1968.91 g/mol
LogP25.48
Rot. Bonds15

About 2,5-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-1,3,4-oxadiazole;2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;[6-(dimethylsilylmethyl)-9-[4-[5-[4-[3-(dimethylsilylmethyl)-6-methylcarbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-yl]-trimethylsilane

2,5-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-1,3,4-oxadiazole;2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;[6-(dimethylsilylmethyl)-9-[4-[5-[4-[3-(dimethylsilylmethyl)-6-methylcarbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-yl]-trimethylsilane (PubChem CID 158105658) has the molecular formula C120H114N12O3Si7 and a molecular weight of 1968.91 g/mol. Its IUPAC name is 2,5-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-1,3,4-oxadiazole;2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;[6-(dimethylsilylmethyl)-9-[4-[5-[4-[3-(dimethylsilylmethyl)-6-methylcarbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-yl]-trimethylsilane.

Molecular Properties

Compound Name2,5-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-1,3,4-oxadiazole;2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;[6-(dimethylsilylmethyl)-9-[4-[5-[4-[3-(dimethylsilylmethyl)-6-methylcarbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-yl]-trimethylsilane
PubChem CID158105658
Molecular FormulaC120H114N12O3Si7
Molecular Weight1968.91 g/mol
Exact Mass1966.75
IUPAC Name2,5-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-1,3,4-oxadiazole;2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;[6-(dimethylsilylmethyl)-9-[4-[5-[4-[3-(dimethylsilylmethyl)-6-methylcarbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-yl]-trimethylsilane
SMILESC[Si]1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)o3)cc2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2nnc(N3c4ccccc4[Si](C)(C)c4ccccc43)o2)c2ccccc21.Cc1ccc2c(c1)c1cc(C[SiH](C)C)ccc1n2-c1ccc(-c2nnc(-c3ccc(-n4c5ccc(C[SiH](C)C)cc5c5cc([Si](C)(C)C)ccc54)cc3)o2)cc1
InChIInChI=1S/C48H50N4OSi3.C42H36N4OSi2.C30H28N4OSi2/c1-31-9-21-43-39(25-31)40-26-32(29-54(2)3)10-22-44(40)51(43)36-16-12-34(13-17-36)47-49-50-48(53-47)35-14-18-37(19-15-35)52-45-23-11-33(30-55(4)5)27-41(45)42-28-38(56(6,7)8)20-24-46(42)52;1-48(2)37-17-9-5-13-33(37)45(34-14-6-10-18-38(34)48)31-25-21-29(22-26-31)41-43-44-42(47-41)30-23-27-32(28-24-30)46-35-15-7-11-19-39(35)49(3,4)40-20-12-8-16-36(40)46;1-36(2)25-17-9-5-13-21(25)33(22-14-6-10-18-26(22)36)29-31-32-30(35-29)34-23-15-7-11-19-27(23)37(3,4)28-20-12-8-16-24(28)34/h9-28,54-55H,29-30H2,1-8H3;5-28H,1-4H3;5-20H,1-4H3
InChIKeyFPUGWCWHUFDQJS-UHFFFAOYSA-N
XLogP25.48
TPSA139.58 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001968.91
LogP ≤ 525.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2,5-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-1,3,4-oxadiazole;2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;[6-(dimethylsilylmethyl)-9-[4-[5-[4-[3-(dimethylsilylmethyl)-6-methylcarbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-yl]-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-1,3,4-oxadiazole;2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;[6-(dimethylsilylmethyl)-9-[4-[5-[4-[3-(dimethylsilylmethyl)-6-methylcarbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-yl]-trimethylsilane?
The IUPAC name of 2,5-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-1,3,4-oxadiazole;2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;[6-(dimethylsilylmethyl)-9-[4-[5-[4-[3-(dimethylsilylmethyl)-6-methylcarbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-yl]-trimethylsilane (CID 158105658) is 2,5-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-1,3,4-oxadiazole;2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;[6-(dimethylsilylmethyl)-9-[4-[5-[4-[3-(dimethylsilylmethyl)-6-methylcarbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-yl]-trimethylsilane.
What is the SMILES notation for 2,5-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-1,3,4-oxadiazole;2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;[6-(dimethylsilylmethyl)-9-[4-[5-[4-[3-(dimethylsilylmethyl)-6-methylcarbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-yl]-trimethylsilane?
The canonical SMILES for 2,5-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-1,3,4-oxadiazole;2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;[6-(dimethylsilylmethyl)-9-[4-[5-[4-[3-(dimethylsilylmethyl)-6-methylcarbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-yl]-trimethylsilane is C[Si]1(C)c2ccccc2N(c2ccc(-c3nnc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)o3)cc2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2nnc(N3c4ccccc4[Si](C)(C)c4ccccc43)o2)c2ccccc21.Cc1ccc2c(c1)c1cc(C[SiH](C)C)ccc1n2-c1ccc(-c2nnc(-c3ccc(-n4c5ccc(C[SiH](C)C)cc5c5cc([Si](C)(C)C)ccc54)cc3)o2)cc1.
What is the InChIKey of 2,5-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-1,3,4-oxadiazole;2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;[6-(dimethylsilylmethyl)-9-[4-[5-[4-[3-(dimethylsilylmethyl)-6-methylcarbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-yl]-trimethylsilane?
The InChIKey is FPUGWCWHUFDQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H50N4OSi3.C42H36N4OSi2.C30H28N4OSi2/c1-31-9-21-43-39(25-31)40-26-32(29-54(2)3)10-22-44(40)51(43)36-16-12-34(13-17-36)47-49-50-48(53-47)35-14-18-37(19-15-35)52-45-23-11-33(30-55(4)5)27-41(45)42-28-38(56(6,7)8)20-24-46(42)52;1-48(2)37-17-9-5-13-33(37)45(34-14-6-10-18-38(34)48)31-25-21-29(22-26-31)41-43-44-42(47-41)30-23-27-32(28-24-30)46-35-15-7-11-19-39(35)49(3,4)40-20-12-8-16-36(40)46;1-36(2)25-17-9-5-13-21(25)33(22-14-6-10-18-26(22)36)29-31-32-30(35-29)34-23-15-7-11-19-27(23)37(3,4)28-20-12-8-16-24(28)34/h9-28,54-55H,29-30H2,1-8H3;5-28H,1-4H3;5-20H,1-4H3.
What are the key properties of 2,5-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-1,3,4-oxadiazole;2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;[6-(dimethylsilylmethyl)-9-[4-[5-[4-[3-(dimethylsilylmethyl)-6-methylcarbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-yl]-trimethylsilane?
2,5-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-1,3,4-oxadiazole;2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;[6-(dimethylsilylmethyl)-9-[4-[5-[4-[3-(dimethylsilylmethyl)-6-methylcarbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-yl]-trimethylsilane has a molecular weight of 1968.91 g/mol, XLogP of 25.48, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-1,3,4-oxadiazole;2,5-bis[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,3,4-oxadiazole;[6-(dimethylsilylmethyl)-9-[4-[5-[4-[3-(dimethylsilylmethyl)-6-methylcarbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-yl]-trimethylsilane is sourced from PubChem (CID 158105658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).