N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine

C48H31NO2 — CID 70808582

IUPACN-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C48H31NO2/c1-3-11-32(12-4-1)35-27-36(33-13-5-2-6-14-33)29-37(28-35)34-19-21-38(22-20-34)49(39-23-25-43-41-15-7-9-17-45(41)50-47(43)30-39)40-24-26-44-42-16-8-10-18-46(42)51-48(44)31-40/h1-31H
InChIKeyHKWVTTOYPCHXMR-UHFFFAOYSA-N
MW653.78 g/mol
LogP13.96
Rot. Bonds6

About N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine

N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 70808582) has the molecular formula C48H31NO2 and a molecular weight of 653.78 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID70808582
Molecular FormulaC48H31NO2
Molecular Weight653.78 g/mol
Exact Mass653.24
IUPAC NameN-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C48H31NO2/c1-3-11-32(12-4-1)35-27-36(33-13-5-2-6-14-33)29-37(28-35)34-19-21-38(22-20-34)49(39-23-25-43-41-15-7-9-17-45(41)50-47(43)30-39)40-24-26-44-42-16-8-10-18-46(42)51-48(44)31-40/h1-31H
InChIKeyHKWVTTOYPCHXMR-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,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
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,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,3-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161375277
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine (CID 70808582) is N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3)c2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is HKWVTTOYPCHXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO2/c1-3-11-32(12-4-1)35-27-36(33-13-5-2-6-14-33)29-37(28-35)34-19-21-38(22-20-34)49(39-23-25-43-41-15-7-9-17-45(41)50-47(43)30-39)40-24-26-44-42-16-8-10-18-46(42)51-48(44)31-40/h1-31H.
What are the key properties of N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine?
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)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-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 70808582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).