N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline

C40H27NO — CID 176808418

IUPACN,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline
SMILESc1ccc(-c2cc3oc4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4c3c3ccccc23)cc1
InChIInChI=1S/C40H27NO/c1-4-12-29(13-5-1)37-27-39-40(35-19-11-10-18-34(35)37)36-25-22-30(26-38(36)42-39)28-20-23-33(24-21-28)41(31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-27H
InChIKeyFEHQIVRIWOZUCF-UHFFFAOYSA-N
MW537.66 g/mol
LogP11.54
Rot. Bonds5

About N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline

N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline (PubChem CID 176808418) has the molecular formula C40H27NO and a molecular weight of 537.66 g/mol. Its IUPAC name is N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline
PubChem CID176808418
Molecular FormulaC40H27NO
Molecular Weight537.66 g/mol
Exact Mass537.21
IUPAC NameN,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline
SMILESc1ccc(-c2cc3oc4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4c3c3ccccc23)cc1
InChIInChI=1S/C40H27NO/c1-4-12-29(13-5-1)37-27-39-40(35-19-11-10-18-34(35)37)36-25-22-30(26-38(36)42-39)28-20-23-33(24-21-28)41(31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-27H
InChIKeyFEHQIVRIWOZUCF-UHFFFAOYSA-N
XLogP11.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline 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-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline
CID 176765163
N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176775483
5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176844259
5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 176765247
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N,4-diphenylaniline
CID 138651647
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)phenyl]dibenzofuran-4-amine
CID 176808337
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine
CID 176765348
N-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine
CID 170301707
N,4-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
CID 167143448
N-phenyl-6-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 176765434
N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine
CID 176765370

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline (CID 176808418) is N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline is c1ccc(-c2cc3oc4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4c3c3ccccc23)cc1.
What is the InChIKey of N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline?
The InChIKey is FEHQIVRIWOZUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO/c1-4-12-29(13-5-1)37-27-39-40(35-19-11-10-18-34(35)37)36-25-22-30(26-38(36)42-39)28-20-23-33(24-21-28)41(31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-27H.
What are the key properties of N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline?
N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline has a molecular weight of 537.66 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline is sourced from PubChem (CID 176808418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).