N-[4-(2-bromodibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

C42H26BrNO2 — CID 138481583

IUPACN-[4-(2-bromodibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESBrc1ccc2oc3ccccc3c2c1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C42H26BrNO2/c43-35-25-26-39-41(34-12-5-7-16-38(34)45-39)40(35)29-19-23-31(24-20-29)44(30-21-17-28(18-22-30)27-9-2-1-3-10-27)36-14-8-13-33-32-11-4-6-15-37(32)46-42(33)36/h1-26H
InChIKeyIAOWCKLOCNOYHW-UHFFFAOYSA-N
MW656.58 g/mol
LogP13.05
Rot. Bonds5

About N-[4-(2-bromodibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

N-[4-(2-bromodibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 138481583) has the molecular formula C42H26BrNO2 and a molecular weight of 656.58 g/mol. Its IUPAC name is N-[4-(2-bromodibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(2-bromodibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID138481583
Molecular FormulaC42H26BrNO2
Molecular Weight656.58 g/mol
Exact Mass655.11
IUPAC NameN-[4-(2-bromodibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESBrc1ccc2oc3ccccc3c2c1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C42H26BrNO2/c43-35-25-26-39-41(34-12-5-7-16-38(34)45-39)40(35)29-19-23-31(24-20-29)44(30-21-17-28(18-22-30)27-9-2-1-3-10-27)36-14-8-13-33-32-11-4-6-15-37(32)46-42(33)36/h1-26H
InChIKeyIAOWCKLOCNOYHW-UHFFFAOYSA-N
XLogP13.05
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.58
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-bromodibenzofuran-1-yl)phenyl]-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-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90125906
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
2-bromo-1-phenyldibenzofuran
CID 138481410
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169064652
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N,N,12-tris(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 158923776
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromodibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[4-(2-bromodibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 138481583) is N-[4-(2-bromodibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-(2-bromodibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-(2-bromodibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is Brc1ccc2oc3ccccc3c2c1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-[4-(2-bromodibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is IAOWCKLOCNOYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26BrNO2/c43-35-25-26-39-41(34-12-5-7-16-38(34)45-39)40(35)29-19-23-31(24-20-29)44(30-21-17-28(18-22-30)27-9-2-1-3-10-27)36-14-8-13-33-32-11-4-6-15-37(32)46-42(33)36/h1-26H.
What are the key properties of N-[4-(2-bromodibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-[4-(2-bromodibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 656.58 g/mol, XLogP of 13.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromodibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 138481583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).