8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine

C48H29NO2S — CID 174244486

IUPAC8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2oc2ccc(-c4cccc5sc6ccc(-c7ccc8oc9ccccc9c8c7)cc6c45)cc23)cc1
InChIInChI=1S/C48H29NO2S/c1-3-11-33(12-4-1)49(34-13-5-2-6-14-34)41-18-9-17-37-39-29-32(22-25-44(39)51-48(37)41)35-16-10-20-46-47(35)40-28-31(23-26-45(40)52-46)30-21-24-43-38(27-30)36-15-7-8-19-42(36)50-43/h1-29H
InChIKeyXLCACGABCNPEIB-UHFFFAOYSA-N
MW683.83 g/mol
LogP14.66
Rot. Bonds5

About 8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine

8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine (PubChem CID 174244486) has the molecular formula C48H29NO2S and a molecular weight of 683.83 g/mol. Its IUPAC name is 8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine.

Molecular Properties

Compound Name8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine
PubChem CID174244486
Molecular FormulaC48H29NO2S
Molecular Weight683.83 g/mol
Exact Mass683.19
IUPAC Name8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2oc2ccc(-c4cccc5sc6ccc(-c7ccc8oc9ccccc9c8c7)cc6c45)cc23)cc1
InChIInChI=1S/C48H29NO2S/c1-3-11-33(12-4-1)49(34-13-5-2-6-14-34)41-18-9-17-37-39-29-32(22-25-44(39)51-48(37)41)35-16-10-20-46-47(35)40-28-31(23-26-45(40)52-46)30-21-24-43-38(27-30)36-15-7-8-19-42(36)50-43/h1-29H
InChIKeyXLCACGABCNPEIB-UHFFFAOYSA-N
XLogP14.66
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.83
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-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-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine
CID 164987719
N-dibenzothiophen-1-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805096
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
CID 168805429
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 167324430
N-dibenzofuran-4-yl-N-[3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine
CID 164965115
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine
CID 170040170
3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 139393694
N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163957586
N-dibenzothiophen-2-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 163977940
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-1-amine
CID 164968895
N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167329288
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 165023327

Frequently Asked Questions

What is the IUPAC name of 8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine?
The IUPAC name of 8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine (CID 174244486) is 8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine.
What is the SMILES notation for 8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine?
The canonical SMILES for 8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine is c1ccc(N(c2ccccc2)c2cccc3c2oc2ccc(-c4cccc5sc6ccc(-c7ccc8oc9ccccc9c8c7)cc6c45)cc23)cc1.
What is the InChIKey of 8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine?
The InChIKey is XLCACGABCNPEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO2S/c1-3-11-33(12-4-1)49(34-13-5-2-6-14-34)41-18-9-17-37-39-29-32(22-25-44(39)51-48(37)41)35-16-10-20-46-47(35)40-28-31(23-26-45(40)52-46)30-21-24-43-38(27-30)36-15-7-8-19-42(36)50-43/h1-29H.
What are the key properties of 8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine?
8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine has a molecular weight of 683.83 g/mol, XLogP of 14.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine is sourced from PubChem (CID 174244486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).