N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine

C48H29NO3 — CID 167397725

IUPACN-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5oc6ccccc6c5c4)cccc23)cc1
InChIInChI=1S/C48H29NO3/c1-2-11-30(12-3-1)34-15-9-18-39-40-19-10-20-42(48(40)52-47(34)39)49(33-27-28-45-41(29-33)37-14-5-6-21-43(37)50-45)32-25-23-31(24-26-32)35-16-8-17-38-36-13-4-7-22-44(36)51-46(35)38/h1-29H
InChIKeyJPDXMWSTTGFQJK-UHFFFAOYSA-N
MW667.76 g/mol
LogP14.19
Rot. Bonds5

About N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine

N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine (PubChem CID 167397725) has the molecular formula C48H29NO3 and a molecular weight of 667.76 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
PubChem CID167397725
Molecular FormulaC48H29NO3
Molecular Weight667.76 g/mol
Exact Mass667.21
IUPAC NameN-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5oc6ccccc6c5c4)cccc23)cc1
InChIInChI=1S/C48H29NO3/c1-2-11-30(12-3-1)34-15-9-18-39-40-19-10-20-42(48(40)52-47(34)39)49(33-27-28-45-41(29-33)37-14-5-6-21-43(37)50-45)32-25-23-31(24-26-32)35-16-8-17-38-36-13-4-7-22-44(36)51-46(35)38/h1-29H
InChIKeyJPDXMWSTTGFQJK-UHFFFAOYSA-N
XLogP14.19
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.76
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-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-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 122675345
N,N-bis(4-dibenzofuran-2-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-4-amine
CID 159092956
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168805415
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172501827
N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine
CID 167397866
N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397482
N-dibenzofuran-4-yl-N-(4-dibenzofuran-1-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397006
N-(3,5-diphenylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168804923
N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170301157

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine (CID 167397725) is N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine is c1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5oc6ccccc6c5c4)cccc23)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine?
The InChIKey is JPDXMWSTTGFQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO3/c1-2-11-30(12-3-1)34-15-9-18-39-40-19-10-20-42(48(40)52-47(34)39)49(33-27-28-45-41(29-33)37-14-5-6-21-43(37)50-45)32-25-23-31(24-26-32)35-16-8-17-38-36-13-4-7-22-44(36)51-46(35)38/h1-29H.
What are the key properties of N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine?
N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine has a molecular weight of 667.76 g/mol, XLogP of 14.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine is sourced from PubChem (CID 167397725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).