N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine

C44H29NO — CID 170301658

IUPACN-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4oc5cc(-c6ccccc6)c6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-3-12-30(13-4-1)32-22-25-35(26-23-32)45(36-27-24-31-14-7-8-17-34(31)28-36)40-20-11-21-41-44(40)43-38-19-10-9-18-37(38)39(29-42(43)46-41)33-15-5-2-6-16-33/h1-29H
InChIKeyBZXGHKABOWDQSN-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine

N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 170301658) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
PubChem CID170301658
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC NameN-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4oc5cc(-c6ccccc6)c6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-3-12-30(13-4-1)32-22-25-35(26-23-32)45(36-27-24-31-14-7-8-17-34(31)28-36)40-20-11-21-41-44(40)43-38-19-10-9-18-37(38)39(29-42(43)46-41)33-15-5-2-6-16-33/h1-29H
InChIKeyBZXGHKABOWDQSN-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-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-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-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176808370
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502233
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167324675
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-5-phenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301659
N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 170031061
2-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N,N-bis(4-phenylphenyl)aniline
CID 170301670
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301401
N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine
CID 176765019
N-dibenzofuran-1-yl-N-(4-phenanthren-3-ylphenyl)-5-phenylnaphtho[2,1-b][1]benzofuran-3-amine
CID 176765441
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167121398

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine (CID 170301658) is N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4oc5cc(-c6ccccc6)c6ccccc6c5c34)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is BZXGHKABOWDQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-3-12-30(13-4-1)32-22-25-35(26-23-32)45(36-27-24-31-14-7-8-17-34(31)28-36)40-20-11-21-41-44(40)43-38-19-10-9-18-37(38)39(29-42(43)46-41)33-15-5-2-6-16-33/h1-29H.
What are the key properties of N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine?
N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-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-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 170301658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).