N-(4-phenylphenyl)-N-[3-(6-pyridin-3-yldibenzofuran-1-yl)phenyl]naphthalen-2-amine

C45H30N2O — CID 138496146

IUPACN-(4-phenylphenyl)-N-[3-(6-pyridin-3-yldibenzofuran-1-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5oc6c(-c7cccnc7)cccc6c45)c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C45H30N2O/c1-2-10-31(11-3-1)33-21-24-37(25-22-33)47(39-26-23-32-12-4-5-13-34(32)28-39)38-16-6-14-35(29-38)40-17-8-20-43-44(40)42-19-7-18-41(45(42)48-43)36-15-9-27-46-30-36/h1-30H
InChIKeyZLJBZVWPTQQWCP-UHFFFAOYSA-N
MW614.75 g/mol
LogP12.60
Rot. Bonds6

About N-(4-phenylphenyl)-N-[3-(6-pyridin-3-yldibenzofuran-1-yl)phenyl]naphthalen-2-amine

N-(4-phenylphenyl)-N-[3-(6-pyridin-3-yldibenzofuran-1-yl)phenyl]naphthalen-2-amine (PubChem CID 138496146) has the molecular formula C45H30N2O and a molecular weight of 614.75 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[3-(6-pyridin-3-yldibenzofuran-1-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[3-(6-pyridin-3-yldibenzofuran-1-yl)phenyl]naphthalen-2-amine
PubChem CID138496146
Molecular FormulaC45H30N2O
Molecular Weight614.75 g/mol
Exact Mass614.24
IUPAC NameN-(4-phenylphenyl)-N-[3-(6-pyridin-3-yldibenzofuran-1-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5oc6c(-c7cccnc7)cccc6c45)c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C45H30N2O/c1-2-10-31(11-3-1)33-21-24-37(25-22-33)47(39-26-23-32-12-4-5-13-34(32)28-39)38-16-6-14-35(29-38)40-17-8-20-43-44(40)42-19-7-18-41(45(42)48-43)36-15-9-27-46-30-36/h1-30H
InChIKeyZLJBZVWPTQQWCP-UHFFFAOYSA-N
XLogP12.60
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170272481
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-3-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)aniline
CID 167363487
N-naphthalen-2-yl-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-5-yl)phenyl]naphthalen-2-amine
CID 156549208
3,5-di(dibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline;bis(N-[3,5-di(dibenzofuran-4-yl)phenyl]-N-phenylnaphthalen-2-amine);3,5-di(dibenzofuran-4-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 160923165
3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166939687
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939002
N,N-bis(4-phenylphenyl)-7-[3-(N-(4-phenylphenyl)anilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine;N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-2-yl-N-phenyl-7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine;7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 158142050
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170031195
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 168804352
N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 167330309

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[3-(6-pyridin-3-yldibenzofuran-1-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[3-(6-pyridin-3-yldibenzofuran-1-yl)phenyl]naphthalen-2-amine (CID 138496146) is N-(4-phenylphenyl)-N-[3-(6-pyridin-3-yldibenzofuran-1-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[3-(6-pyridin-3-yldibenzofuran-1-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[3-(6-pyridin-3-yldibenzofuran-1-yl)phenyl]naphthalen-2-amine is c1ccc(-c2ccc(N(c3cccc(-c4cccc5oc6c(-c7cccnc7)cccc6c45)c3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[3-(6-pyridin-3-yldibenzofuran-1-yl)phenyl]naphthalen-2-amine?
The InChIKey is ZLJBZVWPTQQWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O/c1-2-10-31(11-3-1)33-21-24-37(25-22-33)47(39-26-23-32-12-4-5-13-34(32)28-39)38-16-6-14-35(29-38)40-17-8-20-43-44(40)42-19-7-18-41(45(42)48-43)36-15-9-27-46-30-36/h1-30H.
What are the key properties of N-(4-phenylphenyl)-N-[3-(6-pyridin-3-yldibenzofuran-1-yl)phenyl]naphthalen-2-amine?
N-(4-phenylphenyl)-N-[3-(6-pyridin-3-yldibenzofuran-1-yl)phenyl]naphthalen-2-amine has a molecular weight of 614.75 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[3-(6-pyridin-3-yldibenzofuran-1-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 138496146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).