7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

C58H40N2O — CID 155423690

IUPAC7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(oc5cccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c54)c4ccccc34)cc2)cc1
InChIInChI=1S/C58H40N2O/c1-5-16-41(17-6-1)43-28-34-49(35-29-43)60(50-36-30-44(31-37-50)42-18-7-2-8-19-42)55-40-54-57-51(26-15-27-56(57)61-58(54)53-25-14-13-24-52(53)55)45-32-38-48(39-33-45)59(46-20-9-3-10-21-46)47-22-11-4-12-23-47/h1-40H
InChIKeyRAKLYPIWBJIBNT-UHFFFAOYSA-N
MW780.97 g/mol
LogP16.68
Rot. Bonds9

About 7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine

7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 155423690) has the molecular formula C58H40N2O and a molecular weight of 780.97 g/mol. Its IUPAC name is 7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound Name7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
PubChem CID155423690
Molecular FormulaC58H40N2O
Molecular Weight780.97 g/mol
Exact Mass780.31
IUPAC Name7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(oc5cccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c54)c4ccccc34)cc2)cc1
InChIInChI=1S/C58H40N2O/c1-5-16-41(17-6-1)43-28-34-49(35-29-43)60(50-36-30-44(31-37-50)42-18-7-2-8-19-42)55-40-54-57-51(26-15-27-56(57)61-58(54)53-25-14-13-24-52(53)55)45-32-38-48(39-33-45)59(46-20-9-3-10-21-46)47-22-11-4-12-23-47/h1-40H
InChIKeyRAKLYPIWBJIBNT-UHFFFAOYSA-N
XLogP16.68
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.97
LogP ≤ 516.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423525
N,7-diphenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423378
N-(2-phenylphenyl)-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423438
7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423526
7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155424007
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
N-dibenzofuran-4-yl-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423986
4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline
CID 155423361
7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 155423803
N-(4-dibenzofuran-4-ylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155424002
N,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423471

Frequently Asked Questions

What is the IUPAC name of 7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of 7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine (CID 155423690) is 7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for 7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for 7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(oc5cccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c54)c4ccccc34)cc2)cc1.
What is the InChIKey of 7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is RAKLYPIWBJIBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2O/c1-5-16-41(17-6-1)43-28-34-49(35-29-43)60(50-36-30-44(31-37-50)42-18-7-2-8-19-42)55-40-54-57-51(26-15-27-56(57)61-58(54)53-25-14-13-24-52(53)55)45-32-38-48(39-33-45)59(46-20-9-3-10-21-46)47-22-11-4-12-23-47/h1-40H.
What are the key properties of 7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine?
7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 780.97 g/mol, XLogP of 16.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 155423690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).