N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine

C48H31NO2 — CID 168804493

IUPACN-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C48H31NO2/c1-3-12-32(13-4-1)35-16-9-17-38(30-35)49(44-22-11-21-41-40-18-7-8-23-45(40)51-48(41)44)37-27-24-33(25-28-37)36-26-29-46-43(31-36)42-20-10-19-39(47(42)50-46)34-14-5-2-6-15-34/h1-31H
InChIKeyFVEXZDSBHDOPMO-UHFFFAOYSA-N
MW653.78 g/mol
LogP13.96
Rot. Bonds6

About N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine

N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine (PubChem CID 168804493) has the molecular formula C48H31NO2 and a molecular weight of 653.78 g/mol. Its IUPAC name is N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
PubChem CID168804493
Molecular FormulaC48H31NO2
Molecular Weight653.78 g/mol
Exact Mass653.24
IUPAC NameN-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C48H31NO2/c1-3-12-32(13-4-1)35-16-9-17-38(30-35)49(44-22-11-21-41-40-18-7-8-23-45(40)51-48(41)44)37-27-24-33(25-28-37)36-26-29-46-43(31-36)42-20-10-19-39(47(42)50-46)34-14-5-2-6-15-34/h1-31H
InChIKeyFVEXZDSBHDOPMO-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

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Related Compounds

N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168805415
N-(3,5-diphenylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168804923
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 167144371
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-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397725
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170535179
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 122675345
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168803987
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-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501677

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine (CID 168804493) is N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is FVEXZDSBHDOPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO2/c1-3-12-32(13-4-1)35-16-9-17-38(30-35)49(44-22-11-21-41-40-18-7-8-23-45(40)51-48(41)44)37-27-24-33(25-28-37)36-26-29-46-43(31-36)42-20-10-19-39(47(42)50-46)34-14-5-2-6-15-34/h1-31H.
What are the key properties of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine?
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-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 N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 168804493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).