N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine

C56H36N2O — CID 146508958

IUPACN-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2c3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)c3n3cc4ccccc4cc23)cc1
InChIInChI=1S/C56H36N2O/c1-2-14-40(15-3-1)54-49-23-11-22-47(56(49)57-36-42-17-5-4-16-41(42)35-51(54)57)39-29-33-44(34-30-39)58(50-24-12-26-53-55(50)48-20-8-9-25-52(48)59-53)43-31-27-38(28-32-43)46-21-10-18-37-13-6-7-19-45(37)46/h1-36H
InChIKeySVWJQOXAARIMBB-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.77
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine

N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine (PubChem CID 146508958) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine
PubChem CID146508958
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2c3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)c3n3cc4ccccc4cc23)cc1
InChIInChI=1S/C56H36N2O/c1-2-14-40(15-3-1)54-49-23-11-22-47(56(49)57-36-42-17-5-4-16-41(42)35-51(54)57)39-29-33-44(34-30-39)58(50-24-12-26-53-55(50)48-20-8-9-25-52(48)59-53)43-31-27-38(28-32-43)46-21-10-18-37-13-6-7-19-45(37)46/h1-36H
InChIKeySVWJQOXAARIMBB-UHFFFAOYSA-N
XLogP15.77
TPSA20.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 146508756
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 139355152
N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(12-phenylnaphtho[1,2-b]indolizin-4-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 146509212
N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine
CID 146508526
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-(4-naphthalen-1-ylphenyl)-N-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,16,18,20-decaen-3-yl)phenyl]dibenzofuran-1-amine
CID 146508653
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
CID 153475737
N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605751
N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086262
N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine
CID 166845878
N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-9-amine;N-dibenzofuran-3-yl-N-[3-[3-(12-phenylindolo[1,2-b]isoquinolin-8-yl)phenyl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-4-[4-(12-phenylindolo[1,2-b]isoquinolin-8-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-12-phenyl-N-[4-(4-phenylphenyl)phenyl]indolo[1,2-b]isoquinolin-9-amine;12-phenyl-N,N-bis(4-phenylphenyl)indolo[1,2-b]isoquinolin-9-amine;N-[3-(12-phenylindolo[1,2-b]isoquinolin-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 161084145
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 167234331

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine (CID 146508958) is N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine is c1ccc(-c2c3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)c3n3cc4ccccc4cc23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is SVWJQOXAARIMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-14-40(15-3-1)54-49-23-11-22-47(56(49)57-36-42-17-5-4-16-41(42)35-51(54)57)39-29-33-44(34-30-39)58(50-24-12-26-53-55(50)48-20-8-9-25-52(48)59-53)43-31-27-38(28-32-43)46-21-10-18-37-13-6-7-19-45(37)46/h1-36H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine?
N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 752.92 g/mol, XLogP of 15.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[4-(12-phenylindolo[1,2-b]isoquinolin-4-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 146508958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).