N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine

C44H29NO — CID 169296294

IUPACN-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc4ccccc34)c3cccc4oc5c(-c6ccccc6)c6ccccc6cc5c34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-3-13-30(14-4-1)31-25-27-35(28-26-31)45(39-22-11-19-32-15-7-9-20-36(32)39)40-23-12-24-41-43(40)38-29-34-18-8-10-21-37(34)42(44(38)46-41)33-16-5-2-6-17-33/h1-29H
InChIKeyRUHTWKLTEBBPKC-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine

N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine (PubChem CID 169296294) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
PubChem CID169296294
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC NameN-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc4ccccc34)c3cccc4oc5c(-c6ccccc6)c6ccccc6cc5c34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-3-13-30(14-4-1)31-25-27-35(28-26-31)45(39-22-11-19-32-15-7-9-20-36(32)39)40-23-12-24-41-43(40)38-29-34-18-8-10-21-37(34)42(44(38)46-41)33-16-5-2-6-17-33/h1-29H
InChIKeyRUHTWKLTEBBPKC-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-naphthalen-1-yl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423687
N-naphthalen-1-yl-5-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423840
6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169295868
N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline
CID 169296331
N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline
CID 169295391
N-naphthalen-2-yl-6-phenanthren-9-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169296304
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 169063637
N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 158923776
N-phenanthren-9-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295286
5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423502
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423267
N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline
CID 169295813

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The IUPAC name of N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine (CID 169296294) is N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine.
What is the SMILES notation for N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The canonical SMILES for N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine is c1ccc(-c2ccc(N(c3cccc4ccccc34)c3cccc4oc5c(-c6ccccc6)c6ccccc6cc5c34)cc2)cc1.
What is the InChIKey of N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The InChIKey is RUHTWKLTEBBPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-3-13-30(14-4-1)31-25-27-35(28-26-31)45(39-22-11-19-32-15-7-9-20-36(32)39)40-23-12-24-41-43(40)38-29-34-18-8-10-21-37(34)42(44(38)46-41)33-16-5-2-6-17-33/h1-29H.
What are the key properties of N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine has a molecular weight of 587.72 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 169296294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).