N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine

C50H33NO — CID 176765434

IUPACN-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4cc(-c5ccc6c(c5)c(-c5ccccc5)cc5oc7ccccc7c56)ccc4c3)c2)cc1
InChIInChI=1S/C50H33NO/c1-4-13-34(14-5-1)36-17-12-20-42(30-36)51(41-18-8-3-9-19-41)43-27-25-38-29-37(23-24-39(38)31-43)40-26-28-44-47(32-40)46(35-15-6-2-7-16-35)33-49-50(44)45-21-10-11-22-48(45)52-49/h1-33H
InChIKeyDGAGZBXTLYVPNI-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine

N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine (PubChem CID 176765434) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine
PubChem CID176765434
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4cc(-c5ccc6c(c5)c(-c5ccccc5)cc5oc7ccccc7c56)ccc4c3)c2)cc1
InChIInChI=1S/C50H33NO/c1-4-13-34(14-5-1)36-17-12-20-42(30-36)51(41-18-8-3-9-19-41)43-27-25-38-29-37(23-24-39(38)31-43)40-26-28-44-47(32-40)46(35-15-6-2-7-16-35)33-49-50(44)45-21-10-11-22-48(45)52-49/h1-33H
InChIKeyDGAGZBXTLYVPNI-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-N,3-diphenylaniline
CID 176765144
N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine
CID 176765370
N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176775483
5-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 176765183
N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline
CID 176765163
5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 176765247
N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine
CID 170126684
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167086989
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030567
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030395
N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine (CID 176765434) is N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc4cc(-c5ccc6c(c5)c(-c5ccccc5)cc5oc7ccccc7c56)ccc4c3)c2)cc1.
What is the InChIKey of N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine?
The InChIKey is DGAGZBXTLYVPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-4-13-34(14-5-1)36-17-12-20-42(30-36)51(41-18-8-3-9-19-41)43-27-25-38-29-37(23-24-39(38)31-43)40-26-28-44-47(32-40)46(35-15-6-2-7-16-35)33-49-50(44)45-21-10-11-22-48(45)52-49/h1-33H.
What are the key properties of N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine?
N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine has a molecular weight of 663.82 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 176765434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).