N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine

C38H25NO — CID 177114269

IUPACN-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
SMILESc1ccc2cc(-c3ccc4cc(-c5ccc(Nc6cccc7c6oc6ccccc67)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C38H25NO/c1-2-7-27-22-29(13-12-25(27)6-1)32-17-16-30-23-28(14-15-31(30)24-32)26-18-20-33(21-19-26)39-36-10-5-9-35-34-8-3-4-11-37(34)40-38(35)36/h1-24,39H
InChIKeyGHJYXPJAQXYVFE-UHFFFAOYSA-N
MW511.62 g/mol
LogP10.97
Rot. Bonds4

About N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine

N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine (PubChem CID 177114269) has the molecular formula C38H25NO and a molecular weight of 511.62 g/mol. Its IUPAC name is N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
PubChem CID177114269
Molecular FormulaC38H25NO
Molecular Weight511.62 g/mol
Exact Mass511.19
IUPAC NameN-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
SMILESc1ccc2cc(-c3ccc4cc(-c5ccc(Nc6cccc7c6oc6ccccc67)cc5)ccc4c3)ccc2c1
InChIInChI=1S/C38H25NO/c1-2-7-27-22-29(13-12-25(27)6-1)32-17-16-30-23-28(14-15-31(30)24-32)26-18-20-33(21-19-26)39-36-10-5-9-35-34-8-3-4-11-37(34)40-38(35)36/h1-24,39H
InChIKeyGHJYXPJAQXYVFE-UHFFFAOYSA-N
XLogP10.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 510.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-4-amine
CID 172544746
N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine
CID 172539034
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 155374295
N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 159380478
N-(4-naphthalen-2-ylnaphthalen-1-yl)dibenzofuran-4-amine
CID 167038244
N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline
CID 139544912
N-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804074
N-[4-[3-(azetidin-3-yl)naphthalen-2-yl]phenyl]dibenzofuran-4-amine
CID 166675601
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050626
N-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine
CID 167397588
N-dibenzofuran-1-yldibenzofuran-4-amine
CID 138484831

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine (CID 177114269) is N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine is c1ccc2cc(-c3ccc4cc(-c5ccc(Nc6cccc7c6oc6ccccc67)cc5)ccc4c3)ccc2c1.
What is the InChIKey of N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine?
The InChIKey is GHJYXPJAQXYVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NO/c1-2-7-27-22-29(13-12-25(27)6-1)32-17-16-30-23-28(14-15-31(30)24-32)26-18-20-33(21-19-26)39-36-10-5-9-35-34-8-3-4-11-37(34)40-38(35)36/h1-24,39H.
What are the key properties of N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine?
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine has a molecular weight of 511.62 g/mol, XLogP of 10.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 177114269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).