3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine

C48H31NO2 — CID 171435530

IUPAC3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)c3c(-c4ccccc4)ccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C48H31NO2/c1-4-12-32(13-5-1)34-20-23-37(24-21-34)49(38-25-29-46-43(31-38)42-30-36(22-28-45(42)50-46)33-14-6-2-7-15-33)47-39(35-16-8-3-9-17-35)26-27-41-40-18-10-11-19-44(40)51-48(41)47/h1-31H
InChIKeyHWDXIGOHLREWTJ-UHFFFAOYSA-N
MW653.78 g/mol
LogP13.96
Rot. Bonds6

About 3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine

3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 171435530) has the molecular formula C48H31NO2 and a molecular weight of 653.78 g/mol. Its IUPAC name is 3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID171435530
Molecular FormulaC48H31NO2
Molecular Weight653.78 g/mol
Exact Mass653.24
IUPAC Name3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)c3c(-c4ccccc4)ccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C48H31NO2/c1-4-12-32(13-5-1)34-20-23-37(24-21-34)49(38-25-29-46-43(31-38)42-30-36(22-28-45(42)50-46)33-14-6-2-7-15-33)47-39(35-16-8-3-9-17-35)26-27-41-40-18-10-11-19-44(40)51-48(41)47/h1-31H
InChIKeyHWDXIGOHLREWTJ-UHFFFAOYSA-N
XLogP13.96
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.78
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-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-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435325
N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435306
N-(4-dibenzofuran-3-ylphenyl)-N-(3,5-diphenylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435107
6-phenyl-N,N-bis(4-phenylphenyl)-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-7-amine
CID 170535880
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435294
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)triphenylen-2-amine
CID 118214662
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine
CID 171435439
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435290
7-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168805484
3-phenyl-N-[4-(6-phenyldibenzothiophen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171434586

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of 3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 171435530) is 3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)c3c(-c4ccccc4)ccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of 3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is HWDXIGOHLREWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO2/c1-4-12-32(13-5-1)34-20-23-37(24-21-34)49(38-25-29-46-43(31-38)42-30-36(22-28-45(42)50-46)33-14-6-2-7-15-33)47-39(35-16-8-3-9-17-35)26-27-41-40-18-10-11-19-44(40)51-48(41)47/h1-31H.
What are the key properties of 3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine?
3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 653.78 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 171435530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).