N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine

C42H25NOS2 — CID 167397452

IUPACN-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4cccc5oc6ccccc6c45)c4cccc5sc6ccccc6c45)cccc23)cc1
InChIInChI=1S/C42H25NOS2/c1-2-12-26(13-3-1)27-16-8-17-28-29-18-9-21-34(42(29)46-41(27)28)43(32-19-10-23-36-39(32)30-14-4-6-22-35(30)44-36)33-20-11-25-38-40(33)31-15-5-7-24-37(31)45-38/h1-25H
InChIKeyCJQXDGIDSNRIOF-UHFFFAOYSA-N
MW623.80 g/mol
LogP13.46
Rot. Bonds4

About N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine

N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine (PubChem CID 167397452) has the molecular formula C42H25NOS2 and a molecular weight of 623.80 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
PubChem CID167397452
Molecular FormulaC42H25NOS2
Molecular Weight623.80 g/mol
Exact Mass623.14
IUPAC NameN-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4cccc5oc6ccccc6c45)c4cccc5sc6ccccc6c45)cccc23)cc1
InChIInChI=1S/C42H25NOS2/c1-2-12-26(13-3-1)27-16-8-17-28-29-18-9-21-34(42(29)46-41(27)28)43(32-19-10-23-36-39(32)30-14-4-6-22-35(30)44-36)33-20-11-25-38-40(33)31-15-5-7-24-37(31)45-38/h1-25H
InChIKeyCJQXDGIDSNRIOF-UHFFFAOYSA-N
XLogP13.46
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396270
N-(4-dibenzothiophen-4-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
CID 167397298
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-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155187031
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186790
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 164955606
N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-1-phenyldibenzofuran-4-amine
CID 171434692
N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine
CID 167396471
N-(4-dibenzofuran-1-ylphenyl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396723
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167397717
N-(2-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155623993
N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396991

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine (CID 167397452) is N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine is c1ccc(-c2cccc3c2sc2c(N(c4cccc5oc6ccccc6c45)c4cccc5sc6ccccc6c45)cccc23)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine?
The InChIKey is CJQXDGIDSNRIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NOS2/c1-2-12-26(13-3-1)27-16-8-17-28-29-18-9-21-34(42(29)46-41(27)28)43(32-19-10-23-36-39(32)30-14-4-6-22-35(30)44-36)33-20-11-25-38-40(33)31-15-5-7-24-37(31)45-38/h1-25H.
What are the key properties of N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine?
N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine has a molecular weight of 623.80 g/mol, XLogP of 13.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine is sourced from PubChem (CID 167397452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).