N-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine

C58H38N2O — CID 146508974

IUPACN-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc(-c5cccc6c(-c7ccccc7)c7c8ccccc8ccn7c56)cc4)c3)c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C58H38N2O/c1-3-14-39(15-4-1)44-19-11-21-46(36-44)60(48-32-33-52-51-24-9-10-27-54(51)61-55(52)38-48)47-22-12-20-45(37-47)40-28-30-42(31-29-40)49-25-13-26-53-56(43-17-5-2-6-18-43)58-50-23-8-7-16-41(50)34-35-59(58)57(49)53/h1-38H
InChIKeyGRRCQFXPDIIAQO-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.28
Rot. Bonds7

About N-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine

N-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine (PubChem CID 146508974) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is N-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
PubChem CID146508974
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC NameN-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc(-c5cccc6c(-c7ccccc7)c7c8ccccc8ccn7c56)cc4)c3)c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C58H38N2O/c1-3-14-39(15-4-1)44-19-11-21-46(36-44)60(48-32-33-52-51-24-9-10-27-54(51)61-55(52)38-48)47-22-12-20-45(37-47)40-28-30-42(31-29-40)49-25-13-26-53-56(43-17-5-2-6-18-43)58-50-23-8-7-16-41(50)34-35-59(58)57(49)53/h1-38H
InChIKeyGRRCQFXPDIIAQO-UHFFFAOYSA-N
XLogP16.28
TPSA20.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-3-yl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]dibenzofuran-3-amine;N-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-4-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]aniline;N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine;N-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N,3,5-triphenyl-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]aniline
CID 158461852
N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146508469
N-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 158852047
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-dibenzofuran-3-yl-N-[3-[3-[4-(12-phenylindolo[1,2-b]isoquinolin-11-yl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 146508487
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352842
N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 167181669

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine (CID 146508974) is N-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2cccc(N(c3cccc(-c4ccc(-c5cccc6c(-c7ccccc7)c7c8ccccc8ccn7c56)cc4)c3)c3ccc4c(c3)oc3ccccc34)c2)cc1.
What is the InChIKey of N-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is GRRCQFXPDIIAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-3-14-39(15-4-1)44-19-11-21-46(36-44)60(48-32-33-52-51-24-9-10-27-54(51)61-55(52)38-48)47-22-12-20-45(37-47)40-28-30-42(31-29-40)49-25-13-26-53-56(43-17-5-2-6-18-43)58-50-23-8-7-16-41(50)34-35-59(58)57(49)53/h1-38H.
What are the key properties of N-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine?
N-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 778.96 g/mol, XLogP of 16.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(12-phenylindolo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 146508974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).