10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine

C276H174N8O11SSi4 — CID 158029850

IUPAC10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)N(c3ccccc3)c3ccccc3[Si]4(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(N2c3ccccc3[Si](c3ccc4c(c3)oc3ccccc34)(c3ccc4c(c3)oc3ccccc34)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1.c1ccc(N2c3ccccc3[Si](c3ccc4c(c3)oc3ccccc34)(c3ccc4c(c3)oc3ccccc34)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4oc4ccccc45)cc32)cc1.c1ccc(N2c3ccccc3[Si](c3ccc4c(c3)oc3ccccc34)(c3ccc4c(c3)oc3ccccc34)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4sc4ccccc45)cc32)cc1
InChIInChI=1S/2C70H44N2O3Si.C70H44N2O2SSi.C66H42N2O3Si/c1-2-18-47(19-3-1)72-60-26-9-13-31-68(60)76(50-37-39-57-54-21-6-10-28-63(54)73-66(57)43-50,51-38-40-58-55-22-7-11-29-64(55)74-67(58)44-51)69-41-36-49(42-62(69)72)71(61-27-15-25-59-56-23-8-12-30-65(56)75-70(59)61)48-34-32-46(33-35-48)53-24-14-17-45-16-4-5-20-52(45)53;1-2-17-47(18-3-1)72-61-24-9-13-28-69(61)76(51-35-38-59-56-21-7-11-26-64(56)74-67(59)43-51,52-36-39-60-57-22-8-12-27-65(57)75-68(60)44-52)70-40-34-49(41-62(70)72)71(50-33-37-58-55-20-6-10-25-63(55)73-66(58)42-50)48-31-29-46(30-32-48)54-23-14-16-45-15-4-5-19-53(45)54;1-2-18-47(19-3-1)72-60-26-9-13-31-68(60)76(50-37-39-56-54-21-6-10-28-63(54)73-65(56)43-50,51-38-40-57-55-22-7-11-29-64(55)74-66(57)44-51)69-41-36-49(42-62(69)72)71(61-27-15-25-59-58-23-8-12-30-67(58)75-70(59)61)48-34-32-46(33-35-48)53-24-14-17-45-16-4-5-20-52(45)53;1-3-15-43(16-4-1)44-27-29-46(30-28-44)67(48-31-35-54-51-19-7-11-23-59(51)69-62(54)40-48)47-32-38-66-58(39-47)68(45-17-5-2-6-18-45)57-22-10-14-26-65(57)72(66,49-33-36-55-52-20-8-12-24-60(52)70-63(55)41-49)50-34-37-56-53-21-9-13-25-61(53)71-64(56)42-50/h3*1-44H;1-42H
InChIKeyFHAYHBQUIAMYSA-UHFFFAOYSA-N
MW3922.88 g/mol
LogP66.66
Rot. Bonds28

About 10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine

10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine (PubChem CID 158029850) has the molecular formula C276H174N8O11SSi4 and a molecular weight of 3922.88 g/mol. Its IUPAC name is 10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine.

Molecular Properties

Compound Name10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine
PubChem CID158029850
Molecular FormulaC276H174N8O11SSi4
Molecular Weight3922.88 g/mol
Exact Mass3919.21
IUPAC Name10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)N(c3ccccc3)c3ccccc3[Si]4(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(N2c3ccccc3[Si](c3ccc4c(c3)oc3ccccc34)(c3ccc4c(c3)oc3ccccc34)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1.c1ccc(N2c3ccccc3[Si](c3ccc4c(c3)oc3ccccc34)(c3ccc4c(c3)oc3ccccc34)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4oc4ccccc45)cc32)cc1.c1ccc(N2c3ccccc3[Si](c3ccc4c(c3)oc3ccccc34)(c3ccc4c(c3)oc3ccccc34)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4sc4ccccc45)cc32)cc1
InChIInChI=1S/2C70H44N2O3Si.C70H44N2O2SSi.C66H42N2O3Si/c1-2-18-47(19-3-1)72-60-26-9-13-31-68(60)76(50-37-39-57-54-21-6-10-28-63(54)73-66(57)43-50,51-38-40-58-55-22-7-11-29-64(55)74-67(58)44-51)69-41-36-49(42-62(69)72)71(61-27-15-25-59-56-23-8-12-30-65(56)75-70(59)61)48-34-32-46(33-35-48)53-24-14-17-45-16-4-5-20-52(45)53;1-2-17-47(18-3-1)72-61-24-9-13-28-69(61)76(51-35-38-59-56-21-7-11-26-64(56)74-67(59)43-51,52-36-39-60-57-22-8-12-27-65(57)75-68(60)44-52)70-40-34-49(41-62(70)72)71(50-33-37-58-55-20-6-10-25-63(55)73-66(58)42-50)48-31-29-46(30-32-48)54-23-14-16-45-15-4-5-19-53(45)54;1-2-18-47(19-3-1)72-60-26-9-13-31-68(60)76(50-37-39-56-54-21-6-10-28-63(54)73-65(56)43-50,51-38-40-57-55-22-7-11-29-64(55)74-66(57)44-51)69-41-36-49(42-62(69)72)71(61-27-15-25-59-58-23-8-12-30-67(58)75-70(59)61)48-34-32-46(33-35-48)53-24-14-17-45-16-4-5-20-52(45)53;1-3-15-43(16-4-1)44-27-29-46(30-28-44)67(48-31-35-54-51-19-7-11-23-59(51)69-62(54)40-48)47-32-38-66-58(39-47)68(45-17-5-2-6-18-45)57-22-10-14-26-65(57)72(66,49-33-36-55-52-20-8-12-24-60(52)70-63(55)41-49)50-34-37-56-53-21-9-13-25-61(53)71-64(56)42-50/h3*1-44H;1-42H
InChIKeyFHAYHBQUIAMYSA-UHFFFAOYSA-N
XLogP66.66
TPSA170.46 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms300
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003922.88
LogP ≤ 566.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine?
The IUPAC name of 10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine (CID 158029850) is 10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine.
What is the SMILES notation for 10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine?
The canonical SMILES for 10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)N(c3ccccc3)c3ccccc3[Si]4(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(N2c3ccccc3[Si](c3ccc4c(c3)oc3ccccc34)(c3ccc4c(c3)oc3ccccc34)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1.c1ccc(N2c3ccccc3[Si](c3ccc4c(c3)oc3ccccc34)(c3ccc4c(c3)oc3ccccc34)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4oc4ccccc45)cc32)cc1.c1ccc(N2c3ccccc3[Si](c3ccc4c(c3)oc3ccccc34)(c3ccc4c(c3)oc3ccccc34)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4sc4ccccc45)cc32)cc1.
What is the InChIKey of 10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine?
The InChIKey is FHAYHBQUIAMYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C70H44N2O3Si.C70H44N2O2SSi.C66H42N2O3Si/c1-2-18-47(19-3-1)72-60-26-9-13-31-68(60)76(50-37-39-57-54-21-6-10-28-63(54)73-66(57)43-50,51-38-40-58-55-22-7-11-29-64(55)74-67(58)44-51)69-41-36-49(42-62(69)72)71(61-27-15-25-59-56-23-8-12-30-65(56)75-70(59)61)48-34-32-46(33-35-48)53-24-14-17-45-16-4-5-20-52(45)53;1-2-17-47(18-3-1)72-61-24-9-13-28-69(61)76(51-35-38-59-56-21-7-11-26-64(56)74-67(59)43-51,52-36-39-60-57-22-8-12-27-65(57)75-68(60)44-52)70-40-34-49(41-62(70)72)71(50-33-37-58-55-20-6-10-25-63(55)73-66(58)42-50)48-31-29-46(30-32-48)54-23-14-16-45-15-4-5-19-53(45)54;1-2-18-47(19-3-1)72-60-26-9-13-31-68(60)76(50-37-39-56-54-21-6-10-28-63(54)73-65(56)43-50,51-38-40-57-55-22-7-11-29-64(55)74-66(57)44-51)69-41-36-49(42-62(69)72)71(61-27-15-25-59-58-23-8-12-30-67(58)75-70(59)61)48-34-32-46(33-35-48)53-24-14-17-45-16-4-5-20-52(45)53;1-3-15-43(16-4-1)44-27-29-46(30-28-44)67(48-31-35-54-51-19-7-11-23-59(51)69-62(54)40-48)47-32-38-66-58(39-47)68(45-17-5-2-6-18-45)57-22-10-14-26-65(57)72(66,49-33-36-55-52-20-8-12-24-60(52)70-63(55)41-49)50-34-37-56-53-21-9-13-25-61(53)71-64(56)42-50/h3*1-44H;1-42H.
What are the key properties of 10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine?
10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine has a molecular weight of 3922.88 g/mol, XLogP of 66.66, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine is sourced from PubChem (CID 158029850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).