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

C48H31NO2 — CID 155122906

IUPACN-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)c(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C48H31NO2/c1-3-12-32(13-4-1)34-16-11-17-35(28-34)36-22-27-44(43(29-36)33-14-5-2-6-15-33)49(37-23-25-41-39-18-7-9-20-45(39)50-47(41)30-37)38-24-26-42-40-19-8-10-21-46(40)51-48(42)31-38/h1-31H
InChIKeyNQZUUJAPLVQULO-UHFFFAOYSA-N
MW653.78 g/mol
LogP13.96
Rot. Bonds6

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

N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 155122906) has the molecular formula C48H31NO2 and a molecular weight of 653.78 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID155122906
Molecular FormulaC48H31NO2
Molecular Weight653.78 g/mol
Exact Mass653.24
IUPAC NameN-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)c(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C48H31NO2/c1-3-12-32(13-4-1)34-16-11-17-35(28-34)36-22-27-44(43(29-36)33-14-5-2-6-15-33)49(37-23-25-41-39-18-7-9-20-45(39)50-47(41)30-37)38-24-26-42-40-19-8-10-21-46(40)51-48(42)31-38/h1-31H
InChIKeyNQZUUJAPLVQULO-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-phenylphenyl)-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122912
N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254314
3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 118603848
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
N-(4-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154950525
N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 71126774
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
CID 121241785
N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 170126932

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine (CID 155122906) is N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine is c1ccc(-c2cccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)c(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is NQZUUJAPLVQULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO2/c1-3-12-32(13-4-1)34-16-11-17-35(28-34)36-22-27-44(43(29-36)33-14-5-2-6-15-33)49(37-23-25-41-39-18-7-9-20-45(39)50-47(41)30-37)38-24-26-42-40-19-8-10-21-46(40)51-48(42)31-38/h1-31H.
What are the key properties of N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine?
N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-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-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 155122906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).