6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine

C36H22BrNO2 — CID 90125906

IUPAC6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESBrc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)cccc12
InChIInChI=1S/C36H22BrNO2/c37-31-13-6-11-28-29-12-7-14-32(36(29)40-35(28)31)38(25-18-16-24(17-19-25)23-8-2-1-3-9-23)26-20-21-34-30(22-26)27-10-4-5-15-33(27)39-34/h1-22H
InChIKeyFSOADYUQMOATNT-UHFFFAOYSA-N
MW580.48 g/mol
LogP11.38
Rot. Bonds4

About 6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine

6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 90125906) has the molecular formula C36H22BrNO2 and a molecular weight of 580.48 g/mol. Its IUPAC name is 6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID90125906
Molecular FormulaC36H22BrNO2
Molecular Weight580.48 g/mol
Exact Mass579.08
IUPAC Name6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESBrc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)cccc12
InChIInChI=1S/C36H22BrNO2/c37-31-13-6-11-28-29-12-7-14-32(36(29)40-35(28)31)38(25-18-16-24(17-19-25)23-8-2-1-3-9-23)26-20-21-34-30(22-26)27-10-4-5-15-33(27)39-34/h1-22H
InChIKeyFSOADYUQMOATNT-UHFFFAOYSA-N
XLogP11.38
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.48
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433048
N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397725
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-[4-[4-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 157350429
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-8-phenyldibenzofuran-4-amine
CID 168809994
N-[4-(2-bromodibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138481583
N-(4-bromophenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118632283
6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine
CID 160715053
N-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167402575

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of 6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 90125906) is 6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine is Brc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccccc5c4c3)cccc12.
What is the InChIKey of 6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is FSOADYUQMOATNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22BrNO2/c37-31-13-6-11-28-29-12-7-14-32(36(29)40-35(28)31)38(25-18-16-24(17-19-25)23-8-2-1-3-9-23)26-20-21-34-30(22-26)27-10-4-5-15-33(27)39-34/h1-22H.
What are the key properties of 6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine?
6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 580.48 g/mol, XLogP of 11.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 90125906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).