N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine

C36H24N2OS — CID 129082368

IUPACN-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2Nc2cccc3c2sc2ccccc23)c(Nc2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C36H24N2OS/c1-5-15-30(37-23-20-21-34-29(22-23)26-12-3-7-18-33(26)39-34)24(10-1)25-11-2-6-16-31(25)38-32-17-9-14-28-27-13-4-8-19-35(27)40-36(28)32/h1-22,37-38H
InChIKeyOPGFMJOFFZSNLT-UHFFFAOYSA-N
MW532.67 g/mol
LogP11.11
Rot. Bonds5

About N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine

N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine (PubChem CID 129082368) has the molecular formula C36H24N2OS and a molecular weight of 532.67 g/mol. Its IUPAC name is N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine
PubChem CID129082368
Molecular FormulaC36H24N2OS
Molecular Weight532.67 g/mol
Exact Mass532.16
IUPAC NameN-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2Nc2cccc3c2sc2ccccc23)c(Nc2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C36H24N2OS/c1-5-15-30(37-23-20-21-34-29(22-23)26-12-3-7-18-33(26)39-34)24(10-1)25-11-2-6-16-31(25)38-32-17-9-14-28-27-13-4-8-19-35(27)40-36(28)32/h1-22,37-38H
InChIKeyOPGFMJOFFZSNLT-UHFFFAOYSA-N
XLogP11.11
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.67
LogP ≤ 511.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 177286416
2-dibenzothiophen-4-yldibenzofuran
CID 137466632
N-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
CID 159617769
2-N,8-N-bis(2-phenylphenyl)dibenzofuran-2,8-diamine
CID 141309629
N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 147227535
N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 157309066
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113837
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168766680
2,8-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran
CID 139572206
N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine
CID 165071492
3-benzyldibenzofuran;2-benzyl-9,9-dimethylfluorene;N-phenyldibenzofuran-2-amine;N-phenyldibenzothiophen-2-amine;N-phenylnaphtho[1,2-b][1]benzothiol-10-amine;N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 159535610
N-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-amine
CID 169315792

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine?
The IUPAC name of N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine (CID 129082368) is N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine is c1ccc(-c2ccccc2Nc2cccc3c2sc2ccccc23)c(Nc2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine?
The InChIKey is OPGFMJOFFZSNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2OS/c1-5-15-30(37-23-20-21-34-29(22-23)26-12-3-7-18-33(26)39-34)24(10-1)25-11-2-6-16-31(25)38-32-17-9-14-28-27-13-4-8-19-35(27)40-36(28)32/h1-22,37-38H.
What are the key properties of N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine?
N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine has a molecular weight of 532.67 g/mol, XLogP of 11.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 129082368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).