7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine

C50H34N2O — CID 155423803

IUPAC7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(N(c2cccc(-c3cccc4oc5c6ccccc6c(N(c6ccccc6)c6ccccc6)cc5c34)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C50H34N2O/c1-4-19-38(20-5-1)51(42-31-30-35-16-10-11-17-36(35)32-42)41-25-14-18-37(33-41)43-28-15-29-48-49(43)46-34-47(44-26-12-13-27-45(44)50(46)53-48)52(39-21-6-2-7-22-39)40-23-8-3-9-24-40/h1-34H
InChIKeyOTGARZICVXTYTC-UHFFFAOYSA-N
MW678.84 g/mol
LogP14.50
Rot. Bonds7

About 7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine

7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 155423803) has the molecular formula C50H34N2O and a molecular weight of 678.84 g/mol. Its IUPAC name is 7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound Name7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
PubChem CID155423803
Molecular FormulaC50H34N2O
Molecular Weight678.84 g/mol
Exact Mass678.27
IUPAC Name7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(N(c2cccc(-c3cccc4oc5c6ccccc6c(N(c6ccccc6)c6ccccc6)cc5c34)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C50H34N2O/c1-4-19-38(20-5-1)51(42-31-30-35-16-10-11-17-36(35)32-42)41-25-14-18-37(33-41)43-28-15-29-48-49(43)46-34-47(44-26-12-13-27-45(44)50(46)53-48)52(39-21-6-2-7-22-39)40-23-8-3-9-24-40/h1-34H
InChIKeyOTGARZICVXTYTC-UHFFFAOYSA-N
XLogP14.50
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.84
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423922
7-naphthalen-2-yl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 159261204
N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423671
N-naphthalen-2-yl-N,7-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-1-yl-N-(2-phenylphenyl)-7-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-2-yl-N-(2-phenylphenyl)-7-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-naphthalen-2-yl-7-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 159633429
N,7-diphenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423378
7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423525
N-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155424002
7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423690
N-dibenzofuran-4-yl-7-naphthalen-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423965
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170272481
N-naphthalen-2-yl-N,7-bis(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423356

Frequently Asked Questions

What is the IUPAC name of 7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of 7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine (CID 155423803) is 7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for 7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for 7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine is c1ccc(N(c2cccc(-c3cccc4oc5c6ccccc6c(N(c6ccccc6)c6ccccc6)cc5c34)c2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is OTGARZICVXTYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2O/c1-4-19-38(20-5-1)51(42-31-30-35-16-10-11-17-36(35)32-42)41-25-14-18-37(33-41)43-28-15-29-48-49(43)46-34-47(44-26-12-13-27-45(44)50(46)53-48)52(39-21-6-2-7-22-39)40-23-8-3-9-24-40/h1-34H.
What are the key properties of 7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine?
7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 678.84 g/mol, XLogP of 14.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 155423803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).