5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine

C46H31NO — CID 176765247

IUPAC5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(-c5ccccc5)cc5oc6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C46H31NO/c1-4-13-32(14-5-1)34-23-25-37(26-24-34)47(38-20-12-19-36(29-38)33-15-6-2-7-16-33)39-27-28-40-42(35-17-8-3-9-18-35)31-45-46(43(40)30-39)41-21-10-11-22-44(41)48-45/h1-31H
InChIKeyWTUIDIIAHOXNCE-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

About 5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine

5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine (PubChem CID 176765247) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is 5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine.

Molecular Properties

Compound Name5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
PubChem CID176765247
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC Name5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(-c5ccccc5)cc5oc6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C46H31NO/c1-4-13-32(14-5-1)34-23-25-37(26-24-34)47(38-20-12-19-36(29-38)33-15-6-2-7-16-33)39-27-28-40-42(35-17-8-3-9-18-35)31-45-46(43(40)30-39)41-21-10-11-22-44(41)48-45/h1-31H
InChIKeyWTUIDIIAHOXNCE-UHFFFAOYSA-N
XLogP13.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine
CID 176765348
5-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 176765183
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
N-[4-(5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-N,3-diphenylaniline
CID 176765144
N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 176765434
N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263
N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine
CID 176765370
N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline
CID 176765163
N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline
CID 176808418
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 176765298
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine?
The IUPAC name of 5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine (CID 176765247) is 5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine.
What is the SMILES notation for 5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine?
The canonical SMILES for 5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(-c5ccccc5)cc5oc6ccccc6c5c4c3)cc2)cc1.
What is the InChIKey of 5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine?
The InChIKey is WTUIDIIAHOXNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-4-13-32(14-5-1)34-23-25-37(26-24-34)47(38-20-12-19-36(29-38)33-15-6-2-7-16-33)39-27-28-40-42(35-17-8-3-9-18-35)31-45-46(43(40)30-39)41-21-10-11-22-44(41)48-45/h1-31H.
What are the key properties of 5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine?
5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine has a molecular weight of 613.76 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine is sourced from PubChem (CID 176765247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).