N-[(1-naphthalen-2-yldibenzofuran-2-yl)methyl]-N-(4-phenylphenyl)dibenzofuran-1-amine

C47H31NO2 — CID 177281038

IUPACN-[(1-naphthalen-2-yldibenzofuran-2-yl)methyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(Cc3ccc4oc5ccccc5c4c3-c3ccc4ccccc4c3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C47H31NO2/c1-2-11-31(12-3-1)33-23-26-37(27-24-33)48(40-17-10-20-43-46(40)38-15-6-8-18-41(38)49-43)30-36-25-28-44-47(39-16-7-9-19-42(39)50-44)45(36)35-22-21-32-13-4-5-14-34(32)29-35/h1-29H,30H2
InChIKeyMRVZJFHZDYTEER-UHFFFAOYSA-N
MW641.77 g/mol
LogP13.31
Rot. Bonds6

About N-[(1-naphthalen-2-yldibenzofuran-2-yl)methyl]-N-(4-phenylphenyl)dibenzofuran-1-amine

N-[(1-naphthalen-2-yldibenzofuran-2-yl)methyl]-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 177281038) has the molecular formula C47H31NO2 and a molecular weight of 641.77 g/mol. Its IUPAC name is N-[(1-naphthalen-2-yldibenzofuran-2-yl)methyl]-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[(1-naphthalen-2-yldibenzofuran-2-yl)methyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID177281038
Molecular FormulaC47H31NO2
Molecular Weight641.77 g/mol
Exact Mass641.24
IUPAC NameN-[(1-naphthalen-2-yldibenzofuran-2-yl)methyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(Cc3ccc4oc5ccccc5c4c3-c3ccc4ccccc4c3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C47H31NO2/c1-2-11-31(12-3-1)33-23-26-37(27-24-33)48(40-17-10-20-43-46(40)38-15-6-8-18-41(38)49-43)30-36-25-28-44-47(39-16-7-9-19-42(39)50-44)45(36)35-22-21-32-13-4-5-14-34(32)29-35/h1-29H,30H2
InChIKeyMRVZJFHZDYTEER-UHFFFAOYSA-N
XLogP13.31
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.77
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280879
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177281230
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-1-amine
CID 174256291
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605751
N-(4-naphthalen-2-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168789792
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-(3,5-diphenylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 167324369
N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 174256672
2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 89254530

Frequently Asked Questions

What is the IUPAC name of N-[(1-naphthalen-2-yldibenzofuran-2-yl)methyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-[(1-naphthalen-2-yldibenzofuran-2-yl)methyl]-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 177281038) is N-[(1-naphthalen-2-yldibenzofuran-2-yl)methyl]-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-[(1-naphthalen-2-yldibenzofuran-2-yl)methyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-[(1-naphthalen-2-yldibenzofuran-2-yl)methyl]-N-(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(N(Cc3ccc4oc5ccccc5c4c3-c3ccc4ccccc4c3)c3cccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-[(1-naphthalen-2-yldibenzofuran-2-yl)methyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is MRVZJFHZDYTEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31NO2/c1-2-11-31(12-3-1)33-23-26-37(27-24-33)48(40-17-10-20-43-46(40)38-15-6-8-18-41(38)49-43)30-36-25-28-44-47(39-16-7-9-19-42(39)50-44)45(36)35-22-21-32-13-4-5-14-34(32)29-35/h1-29H,30H2.
What are the key properties of N-[(1-naphthalen-2-yldibenzofuran-2-yl)methyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
N-[(1-naphthalen-2-yldibenzofuran-2-yl)methyl]-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 641.77 g/mol, XLogP of 13.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-naphthalen-2-yldibenzofuran-2-yl)methyl]-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 177281038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).