N-dibenzofuran-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine

C42H25NO2S — CID 171435164

IUPACN-dibenzofuran-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3c(sc4ccccc43)c2N(c2cccc3oc4ccccc4c23)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C42H25NO2S/c1-2-12-26(13-3-1)27-24-25-29-28-14-6-9-23-38(28)46-42(29)41(27)43(32-17-10-21-36-39(32)30-15-4-7-19-34(30)44-36)33-18-11-22-37-40(33)31-16-5-8-20-35(31)45-37/h1-25H
InChIKeyRFEYKFXKLKPSCT-UHFFFAOYSA-N
MW607.73 g/mol
LogP12.99
Rot. Bonds4

About N-dibenzofuran-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine

N-dibenzofuran-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine (PubChem CID 171435164) has the molecular formula C42H25NO2S and a molecular weight of 607.73 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
PubChem CID171435164
Molecular FormulaC42H25NO2S
Molecular Weight607.73 g/mol
Exact Mass607.16
IUPAC NameN-dibenzofuran-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3c(sc4ccccc43)c2N(c2cccc3oc4ccccc4c23)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C42H25NO2S/c1-2-12-26(13-3-1)27-24-25-29-28-14-6-9-23-38(28)46-42(29)41(27)43(32-17-10-21-36-39(32)30-15-4-7-19-34(30)44-36)33-18-11-22-37-40(33)31-16-5-8-20-35(31)45-37/h1-25H
InChIKeyRFEYKFXKLKPSCT-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-naphthalen-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 171435103
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155187031
N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 171434642
N-(4-dibenzothiophen-4-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
CID 167397298
N-(3-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 171434810
N-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 171435219
N-dibenzothiophen-1-yl-N,3-diphenyldibenzothiophen-4-amine
CID 171435323
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,5-diphenylphenyl)dibenzofuran-1-amine
CID 155186941
N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine
CID 171434947
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 164990906
N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396991
N-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine
CID 167086793

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine (CID 171435164) is N-dibenzofuran-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine is c1ccc(-c2ccc3c(sc4ccccc43)c2N(c2cccc3oc4ccccc4c23)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine?
The InChIKey is RFEYKFXKLKPSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2S/c1-2-12-26(13-3-1)27-24-25-29-28-14-6-9-23-38(28)46-42(29)41(27)43(32-17-10-21-36-39(32)30-15-4-7-19-34(30)44-36)33-18-11-22-37-40(33)31-16-5-8-20-35(31)45-37/h1-25H.
What are the key properties of N-dibenzofuran-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine?
N-dibenzofuran-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-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-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine is sourced from PubChem (CID 171435164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).