N-[3-(5,6-diphenyl-11H-indolo[2,3-b][1,4]benzazasilin-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine

C56H39N3OSi — CID 146815382

IUPACN-[3-(5,6-diphenyl-11H-indolo[2,3-b][1,4]benzazasilin-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc5c(c4)[SiH2]c4c(n(-c6ccccc6)c6ccccc46)N5c4ccccc4)c3)c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C56H39N3OSi/c1-4-16-38(17-5-1)39-18-14-24-44(34-39)57(46-31-32-48-47-26-11-13-29-52(47)60-53(48)37-46)45-25-15-19-40(35-45)41-30-33-51-54(36-41)61-55-49-27-10-12-28-50(49)58(42-20-6-2-7-21-42)56(55)59(51)43-22-8-3-9-23-43/h1-37H,61H2
InChIKeySAZFDUHTFSCRLM-UHFFFAOYSA-N
MW798.03 g/mol
LogP13.24
Rot. Bonds7

About N-[3-(5,6-diphenyl-11H-indolo[2,3-b][1,4]benzazasilin-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine

N-[3-(5,6-diphenyl-11H-indolo[2,3-b][1,4]benzazasilin-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine (PubChem CID 146815382) has the molecular formula C56H39N3OSi and a molecular weight of 798.03 g/mol. Its IUPAC name is N-[3-(5,6-diphenyl-11H-indolo[2,3-b][1,4]benzazasilin-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[3-(5,6-diphenyl-11H-indolo[2,3-b][1,4]benzazasilin-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
PubChem CID146815382
Molecular FormulaC56H39N3OSi
Molecular Weight798.03 g/mol
Exact Mass797.29
IUPAC NameN-[3-(5,6-diphenyl-11H-indolo[2,3-b][1,4]benzazasilin-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc5c(c4)[SiH2]c4c(n(-c6ccccc6)c6ccccc46)N5c4ccccc4)c3)c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C56H39N3OSi/c1-4-16-38(17-5-1)39-18-14-24-44(34-39)57(46-31-32-48-47-26-11-13-29-52(47)60-53(48)37-46)45-25-15-19-40(35-45)41-30-33-51-54(36-41)61-55-49-27-10-12-28-50(49)58(42-20-6-2-7-21-42)56(55)59(51)43-22-8-3-9-23-43/h1-37H,61H2
InChIKeySAZFDUHTFSCRLM-UHFFFAOYSA-N
XLogP13.24
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.03
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine
CID 153449157
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 146360302
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 147399536
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153012599
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline
CID 153315131
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,6-diphenyl-11H-indolo[2,3-b][1,4]benzazasilin-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[3-(5,6-diphenyl-11H-indolo[2,3-b][1,4]benzazasilin-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine (CID 146815382) is N-[3-(5,6-diphenyl-11H-indolo[2,3-b][1,4]benzazasilin-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[3-(5,6-diphenyl-11H-indolo[2,3-b][1,4]benzazasilin-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[3-(5,6-diphenyl-11H-indolo[2,3-b][1,4]benzazasilin-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2cccc(N(c3cccc(-c4ccc5c(c4)[SiH2]c4c(n(-c6ccccc6)c6ccccc46)N5c4ccccc4)c3)c3ccc4c(c3)oc3ccccc34)c2)cc1.
What is the InChIKey of N-[3-(5,6-diphenyl-11H-indolo[2,3-b][1,4]benzazasilin-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is SAZFDUHTFSCRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N3OSi/c1-4-16-38(17-5-1)39-18-14-24-44(34-39)57(46-31-32-48-47-26-11-13-29-52(47)60-53(48)37-46)45-25-15-19-40(35-45)41-30-33-51-54(36-41)61-55-49-27-10-12-28-50(49)58(42-20-6-2-7-21-42)56(55)59(51)43-22-8-3-9-23-43/h1-37H,61H2.
What are the key properties of N-[3-(5,6-diphenyl-11H-indolo[2,3-b][1,4]benzazasilin-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine?
N-[3-(5,6-diphenyl-11H-indolo[2,3-b][1,4]benzazasilin-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 798.03 g/mol, XLogP of 13.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,6-diphenyl-11H-indolo[2,3-b][1,4]benzazasilin-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 146815382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).