N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine

C48H31NO2 — CID 122675345

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C48H31NO2/c1-2-11-32(12-3-1)33-21-23-34(24-22-33)38-13-4-7-18-44(38)49(37-29-30-47-43(31-37)41-15-6-8-19-45(41)50-47)36-27-25-35(26-28-36)39-16-10-17-42-40-14-5-9-20-46(40)51-48(39)42/h1-31H
InChIKeyLNXZOAPVUBCLFR-UHFFFAOYSA-N
MW653.78 g/mol
LogP13.96
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine

N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine (PubChem CID 122675345) has the molecular formula C48H31NO2 and a molecular weight of 653.78 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
PubChem CID122675345
Molecular FormulaC48H31NO2
Molecular Weight653.78 g/mol
Exact Mass653.24
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C48H31NO2/c1-2-11-32(12-3-1)33-21-23-34(24-22-33)38-13-4-7-18-44(38)49(37-29-30-47-43(31-37)41-15-6-8-19-45(41)50-47)36-27-25-35(26-28-36)39-16-10-17-42-40-14-5-9-20-46(40)51-48(39)42/h1-31H
InChIKeyLNXZOAPVUBCLFR-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-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397725
N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170301157
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172501827
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-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 174285036
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)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenylaniline
CID 158645308
2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324733
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440
N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 140919310

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine (CID 122675345) is N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The InChIKey is LNXZOAPVUBCLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO2/c1-2-11-32(12-3-1)33-21-23-34(24-22-33)38-13-4-7-18-44(38)49(37-29-30-47-43(31-37)41-15-6-8-19-45(41)50-47)36-27-25-35(26-28-36)39-16-10-17-42-40-14-5-9-20-46(40)51-48(39)42/h1-31H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-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-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 122675345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).