N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine

C36H23NOS — CID 129119904

IUPACN-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C36H23NOS/c1-2-8-24(9-3-1)25-14-16-26(17-15-25)37(27-19-21-36-32(22-27)31-11-5-7-13-35(31)39-36)28-18-20-30-29-10-4-6-12-33(29)38-34(30)23-28/h1-23H
InChIKeyUPJSWLQORNNTJO-UHFFFAOYSA-N
MW517.65 g/mol
LogP11.09
Rot. Bonds4

About N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine

N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 129119904) has the molecular formula C36H23NOS and a molecular weight of 517.65 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID129119904
Molecular FormulaC36H23NOS
Molecular Weight517.65 g/mol
Exact Mass517.15
IUPAC NameN-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C36H23NOS/c1-2-8-24(9-3-1)25-14-16-26(17-15-25)37(27-19-21-36-32(22-27)31-11-5-7-13-35(31)39-36)28-18-20-30-29-10-4-6-12-33(29)38-34(30)23-28/h1-23H
InChIKeyUPJSWLQORNNTJO-UHFFFAOYSA-N
XLogP11.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.65
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 146573933
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzofuran-3-amine
CID 153299753
1-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 170050952
5-[7-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]dibenzofuran-2-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588601
4-[4-(N-[4-(8-dibenzofuran-3-yldibenzothiophen-2-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 90076231
2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
CID 157139341
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 139422551
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 129119904) is N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is UPJSWLQORNNTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NOS/c1-2-8-24(9-3-1)25-14-16-26(17-15-25)37(27-19-21-36-32(22-27)31-11-5-7-13-35(31)39-36)28-18-20-30-29-10-4-6-12-33(29)38-34(30)23-28/h1-23H.
What are the key properties of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 517.65 g/mol, XLogP of 11.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 129119904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).