N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine

C36H23NO — CID 167277467

IUPACN,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine
SMILESc1ccc2c(N(c3ccc4ccc5c6ccccc6oc5c4c3)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C36H23NO/c1-3-13-28-24(9-1)11-7-16-33(28)37(34-17-8-12-25-10-2-4-14-29(25)34)27-21-19-26-20-22-31-30-15-5-6-18-35(30)38-36(31)32(26)23-27/h1-23H
InChIKeyOXWPXCLPJAZUOG-UHFFFAOYSA-N
MW485.59 g/mol
LogP10.52
Rot. Bonds3

About N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine

N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine (PubChem CID 167277467) has the molecular formula C36H23NO and a molecular weight of 485.59 g/mol. Its IUPAC name is N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine
PubChem CID167277467
Molecular FormulaC36H23NO
Molecular Weight485.59 g/mol
Exact Mass485.18
IUPAC NameN,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine
SMILESc1ccc2c(N(c3ccc4ccc5c6ccccc6oc5c4c3)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C36H23NO/c1-3-13-28-24(9-1)11-7-16-33(28)37(34-17-8-12-25-10-2-4-14-29(25)34)27-21-19-26-20-22-31-30-15-5-6-18-35(30)38-36(31)32(26)23-27/h1-23H
InChIKeyOXWPXCLPJAZUOG-UHFFFAOYSA-N
XLogP10.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167278179
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine
CID 89254464
N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine
CID 167329955
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine
CID 170130871
N,N-bis(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-2-amine
CID 170272646
N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167278045
N-phenanthren-3-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277186
N,N-di(dibenzofuran-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804115
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 159519229
N-chrysen-1-yl-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 170140586
N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101
8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 165046375

Frequently Asked Questions

What is the IUPAC name of N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine?
The IUPAC name of N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine (CID 167277467) is N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine.
What is the SMILES notation for N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine?
The canonical SMILES for N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine is c1ccc2c(N(c3ccc4ccc5c6ccccc6oc5c4c3)c3cccc4ccccc34)cccc2c1.
What is the InChIKey of N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine?
The InChIKey is OXWPXCLPJAZUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NO/c1-3-13-28-24(9-1)11-7-16-33(28)37(34-17-8-12-25-10-2-4-14-29(25)34)27-21-19-26-20-22-31-30-15-5-6-18-35(30)38-36(31)32(26)23-27/h1-23H.
What are the key properties of N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine?
N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine has a molecular weight of 485.59 g/mol, XLogP of 10.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine is sourced from PubChem (CID 167277467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).