N-naphthalen-2-yl-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-5-yl)phenyl]naphthalen-2-amine

C47H30N2O — CID 156549208

IUPACN-naphthalen-2-yl-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-5-yl)phenyl]naphthalen-2-amine
SMILESc1cncc(-c2cccc3oc4cc(-c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5)c5ccccc5c4c23)c1
InChIInChI=1S/C47H30N2O/c1-3-11-34-27-38(24-18-31(34)9-1)49(39-25-19-32-10-2-4-12-35(32)28-39)37-22-20-33(21-23-37)43-29-45-47(42-15-6-5-14-41(42)43)46-40(16-7-17-44(46)50-45)36-13-8-26-48-30-36/h1-30H
InChIKeyNJICUUDMNPAXTM-UHFFFAOYSA-N
MW638.77 g/mol
LogP13.24
Rot. Bonds5

About N-naphthalen-2-yl-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-5-yl)phenyl]naphthalen-2-amine

N-naphthalen-2-yl-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-5-yl)phenyl]naphthalen-2-amine (PubChem CID 156549208) has the molecular formula C47H30N2O and a molecular weight of 638.77 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-5-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-5-yl)phenyl]naphthalen-2-amine
PubChem CID156549208
Molecular FormulaC47H30N2O
Molecular Weight638.77 g/mol
Exact Mass638.24
IUPAC NameN-naphthalen-2-yl-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-5-yl)phenyl]naphthalen-2-amine
SMILESc1cncc(-c2cccc3oc4cc(-c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5)c5ccccc5c4c23)c1
InChIInChI=1S/C47H30N2O/c1-3-11-34-27-38(24-18-31(34)9-1)49(39-25-19-32-10-2-4-12-35(32)28-39)37-22-20-33(21-23-37)43-29-45-47(42-15-6-5-14-41(42)43)46-40(16-7-17-44(46)50-45)36-13-8-26-48-30-36/h1-30H
InChIKeyNJICUUDMNPAXTM-UHFFFAOYSA-N
XLogP13.24
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylphenyl)-N-[3-(6-pyridin-3-yldibenzofuran-1-yl)phenyl]naphthalen-2-amine
CID 138496146
N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167121398
N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 170301658
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-3-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-6-yl)aniline
CID 167363487
N-[3-[11-(2,6-diphenylpyrimidin-4-yl)naphtho[2,1-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 163478492
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566303
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenylaniline
CID 166565631
N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine
CID 176765370
N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 167402833
N-(3-dibenzofuran-1-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 176810568
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176775483

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-5-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-naphthalen-2-yl-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-5-yl)phenyl]naphthalen-2-amine (CID 156549208) is N-naphthalen-2-yl-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-5-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-5-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-naphthalen-2-yl-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-5-yl)phenyl]naphthalen-2-amine is c1cncc(-c2cccc3oc4cc(-c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5)c5ccccc5c4c23)c1.
What is the InChIKey of N-naphthalen-2-yl-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-5-yl)phenyl]naphthalen-2-amine?
The InChIKey is NJICUUDMNPAXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O/c1-3-11-34-27-38(24-18-31(34)9-1)49(39-25-19-32-10-2-4-12-35(32)28-39)37-22-20-33(21-23-37)43-29-45-47(42-15-6-5-14-41(42)43)46-40(16-7-17-44(46)50-45)36-13-8-26-48-30-36/h1-30H.
What are the key properties of N-naphthalen-2-yl-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-5-yl)phenyl]naphthalen-2-amine?
N-naphthalen-2-yl-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-5-yl)phenyl]naphthalen-2-amine has a molecular weight of 638.77 g/mol, XLogP of 13.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-[4-(11-pyridin-3-ylnaphtho[2,1-b][1]benzofuran-5-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 156549208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).