6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

C46H31NO — CID 130290660

IUPAC6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3c(-c5ccccc5)cc5ccccc5c34)cc2)cc1
InChIInChI=1S/C46H31NO/c1-4-15-32(16-5-1)33-27-29-37(30-28-33)47(42-25-13-12-22-38(42)34-17-6-2-7-18-34)43-26-14-24-40-44-39-23-11-10-21-36(39)31-41(46(44)48-45(40)43)35-19-8-3-9-20-35/h1-31H
InChIKeyLCELIDXCHDXHLF-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

About 6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 130290660) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is 6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID130290660
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC Name6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3c(-c5ccccc5)cc5ccccc5c34)cc2)cc1
InChIInChI=1S/C46H31NO/c1-4-15-32(16-5-1)33-27-29-37(30-28-33)47(42-25-13-12-22-38(42)34-17-6-2-7-18-34)43-26-14-24-40-44-39-23-11-10-21-36(39)31-41(46(44)48-45(40)43)35-19-8-3-9-20-35/h1-31H
InChIKeyLCELIDXCHDXHLF-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

6-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289732
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289864
6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290539
6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290545
N-dibenzofuran-1-yl-N,6-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176844230
N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-6-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289739
N-(9,9-dimethylfluoren-2-yl)-N,6-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844440
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028594
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 161499760
N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 134337496
N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]aniline
CID 134337497
N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844263

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of 6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (CID 130290660) is 6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for 6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for 6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3c(-c5ccccc5)cc5ccccc5c34)cc2)cc1.
What is the InChIKey of 6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is LCELIDXCHDXHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-4-15-32(16-5-1)33-27-29-37(30-28-33)47(42-25-13-12-22-38(42)34-17-6-2-7-18-34)43-26-14-24-40-44-39-23-11-10-21-36(39)31-41(46(44)48-45(40)43)35-19-8-3-9-20-35/h1-31H.
What are the key properties of 6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-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 6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 130290660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).