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

C42H27NO2 — CID 121325419

IUPACN-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5oc6ccccc6c5c4)cc3)c2)cc1
InChIInChI=1S/C42H27NO2/c1-2-9-28(10-3-1)30-11-8-12-31(25-30)29-17-19-32(20-18-29)43(33-21-23-41-37(26-33)35-13-4-6-15-39(35)44-41)34-22-24-42-38(27-34)36-14-5-7-16-40(36)45-42/h1-27H
InChIKeyRBEQEVVIYHSOSE-UHFFFAOYSA-N
MW577.68 g/mol
LogP12.29
Rot. Bonds5

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

N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine (PubChem CID 121325419) has the molecular formula C42H27NO2 and a molecular weight of 577.68 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
PubChem CID121325419
Molecular FormulaC42H27NO2
Molecular Weight577.68 g/mol
Exact Mass577.20
IUPAC NameN-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5oc6ccccc6c5c4)cc3)c2)cc1
InChIInChI=1S/C42H27NO2/c1-2-9-28(10-3-1)30-11-8-12-31(25-30)29-17-19-32(20-18-29)43(33-21-23-41-37(26-33)35-13-4-6-15-39(35)44-41)34-22-24-42-38(27-34)36-14-5-7-16-40(36)45-42/h1-27H
InChIKeyRBEQEVVIYHSOSE-UHFFFAOYSA-N
XLogP12.29
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.68
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296561
N-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296581
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,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
3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 118428337
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine (CID 121325419) is N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine is c1ccc(-c2cccc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5oc6ccccc6c5c4)cc3)c2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine?
The InChIKey is RBEQEVVIYHSOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO2/c1-2-9-28(10-3-1)30-11-8-12-31(25-30)29-17-19-32(20-18-29)43(33-21-23-41-37(26-33)35-13-4-6-15-39(35)44-41)34-22-24-42-38(27-34)36-14-5-7-16-40(36)45-42/h1-27H.
What are the key properties of N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine?
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine has a molecular weight of 577.68 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 121325419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).