N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-1-phenyldibenzofuran-4-amine

C42H25NO2S — CID 171434692

IUPACN-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-1-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc4oc5ccccc5c34)c3cccc4sc5ccccc5c34)c3oc4ccccc4c23)cc1
InChIInChI=1S/C42H25NO2S/c1-2-12-26(13-3-1)27-24-25-33(42-39(27)28-14-4-8-20-35(28)45-42)43(31-17-10-21-36-40(31)29-15-5-7-19-34(29)44-36)32-18-11-23-38-41(32)30-16-6-9-22-37(30)46-38/h1-25H
InChIKeyZBPJPTQNGXQHMX-UHFFFAOYSA-N
MW607.73 g/mol
LogP12.99
Rot. Bonds4

About N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-1-phenyldibenzofuran-4-amine

N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-1-phenyldibenzofuran-4-amine (PubChem CID 171434692) has the molecular formula C42H25NO2S and a molecular weight of 607.73 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-1-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-1-phenyldibenzofuran-4-amine
PubChem CID171434692
Molecular FormulaC42H25NO2S
Molecular Weight607.73 g/mol
Exact Mass607.16
IUPAC NameN-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-1-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc4oc5ccccc5c34)c3cccc4sc5ccccc5c34)c3oc4ccccc4c23)cc1
InChIInChI=1S/C42H25NO2S/c1-2-12-26(13-3-1)27-24-25-33(42-39(27)28-14-4-8-20-35(28)45-42)43(31-17-10-21-36-40(31)29-15-5-7-19-34(29)44-36)32-18-11-23-38-41(32)30-16-6-9-22-37(30)46-38/h1-25H
InChIKeyZBPJPTQNGXQHMX-UHFFFAOYSA-N
XLogP12.99
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.73
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-1-yl-N-phenanthren-4-yl-4-phenyldibenzofuran-1-amine
CID 176820661
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186790
N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
CID 167397452
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 164835646
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 171435226
N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164985244
N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171434776
N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 171435354
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-1-amine
CID 164968895
N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069291
N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
CID 167234079
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
CID 168805429

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-1-phenyldibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-1-phenyldibenzofuran-4-amine (CID 171434692) is N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-1-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-1-phenyldibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-1-phenyldibenzofuran-4-amine is c1ccc(-c2ccc(N(c3cccc4oc5ccccc5c34)c3cccc4sc5ccccc5c34)c3oc4ccccc4c23)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-1-phenyldibenzofuran-4-amine?
The InChIKey is ZBPJPTQNGXQHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2S/c1-2-12-26(13-3-1)27-24-25-33(42-39(27)28-14-4-8-20-35(28)45-42)43(31-17-10-21-36-40(31)29-15-5-7-19-34(29)44-36)32-18-11-23-38-41(32)30-16-6-9-22-37(30)46-38/h1-25H.
What are the key properties of N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-1-phenyldibenzofuran-4-amine?
N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-1-phenyldibenzofuran-4-amine has a molecular weight of 607.73 g/mol, XLogP of 12.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-1-phenyldibenzofuran-4-amine is sourced from PubChem (CID 171434692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).