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

C46H32N2O — CID 155423471

IUPACN,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(N(c2ccccc2)c2ccccc2-c2cccc3oc4c5ccccc5c(N(c5ccccc5)c5ccccc5)cc4c23)cc1
InChIInChI=1S/C46H32N2O/c1-5-18-33(19-6-1)47(34-20-7-2-8-21-34)42-30-16-15-26-37(42)39-29-17-31-44-45(39)41-32-43(38-27-13-14-28-40(38)46(41)49-44)48(35-22-9-3-10-23-35)36-24-11-4-12-25-36/h1-32H
InChIKeyNPTOXDWRPQKAAP-UHFFFAOYSA-N
MW628.78 g/mol
LogP13.35
Rot. Bonds7

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

N,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 155423471) has the molecular formula C46H32N2O and a molecular weight of 628.78 g/mol. Its IUPAC name is N,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
PubChem CID155423471
Molecular FormulaC46H32N2O
Molecular Weight628.78 g/mol
Exact Mass628.25
IUPAC NameN,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(N(c2ccccc2)c2ccccc2-c2cccc3oc4c5ccccc5c(N(c5ccccc5)c5ccccc5)cc4c23)cc1
InChIInChI=1S/C46H32N2O/c1-5-18-33(19-6-1)47(34-20-7-2-8-21-34)42-30-16-15-26-37(42)39-29-17-31-44-45(39)41-32-43(38-27-13-14-28-40(38)46(41)49-44)48(35-22-9-3-10-23-35)36-24-11-4-12-25-36/h1-32H
InChIKeyNPTOXDWRPQKAAP-UHFFFAOYSA-N
XLogP13.35
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423690
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
N,7-diphenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423378
7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155424007
7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423525
N,7-dinaphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 147538410
N-dibenzofuran-4-yl-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423986
7-[3-(N-naphthalen-2-ylanilino)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 155423803
N-naphthalen-2-yl-N,7-bis(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423356
N-naphthalen-2-yl-7-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423671
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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine (CID 155423471) is N,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine is c1ccc(N(c2ccccc2)c2ccccc2-c2cccc3oc4c5ccccc5c(N(c5ccccc5)c5ccccc5)cc4c23)cc1.
What is the InChIKey of N,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is NPTOXDWRPQKAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O/c1-5-18-33(19-6-1)47(34-20-7-2-8-21-34)42-30-16-15-26-37(42)39-29-17-31-44-45(39)41-32-43(38-27-13-14-28-40(38)46(41)49-44)48(35-22-9-3-10-23-35)36-24-11-4-12-25-36/h1-32H.
What are the key properties of N,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
N,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 628.78 g/mol, XLogP of 13.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-7-[2-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 155423471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).