Skip to content

N-[2-(1,3-benzothiazol-2-yl)-9,9-dimethylfluoren-4-yl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzofuran-3-amine

C47H31N3OS2 — CID 166918056

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(1,3-benzothiazol-2-yl)-9,9-dimethylfluoren-4-yl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4nc5ccccc5s4)cc3)c3ccc4c(c3)oc3ccccc34)cc(-c3nc4ccccc4s3)cc21
InChIInChI=1S/C47H31N3OS2/c1-47(2)35-13-5-3-12-34(35)44-36(47)25-29(46-49-38-15-7-10-18-43(38)53-46)26-39(44)50(31-23-24-33-32-11-4-8-16-40(32)51-41(33)27-31)30-21-19-28(20-22-30)45-48-37-14-6-9-17-42(37)52-45/h3-27H,1-2H3
InChIKeySWOLCCBJLIZPPS-UHFFFAOYSA-N
MW717.92 g/mol
LogP13.92
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)-9,9-dimethylfluoren-4-yl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzofuran-3-amine

N-[2-(1,3-benzothiazol-2-yl)-9,9-dimethylfluoren-4-yl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzofuran-3-amine (PubChem CID 166918056) has the molecular formula C47H31N3OS2 and a molecular weight of 717.92 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-9,9-dimethylfluoren-4-yl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-9,9-dimethylfluoren-4-yl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzofuran-3-amine
PubChem CID166918056
Molecular FormulaC47H31N3OS2
Molecular Weight717.92 g/mol
Exact Mass717.19
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-9,9-dimethylfluoren-4-yl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4nc5ccccc5s4)cc3)c3ccc4c(c3)oc3ccccc34)cc(-c3nc4ccccc4s3)cc21
InChIInChI=1S/C47H31N3OS2/c1-47(2)35-13-5-3-12-34(35)44-36(47)25-29(46-49-38-15-7-10-18-43(38)53-46)26-39(44)50(31-23-24-33-32-11-4-8-16-40(32)51-41(33)27-31)30-21-19-28(20-22-30)45-48-37-14-6-9-17-42(37)52-45/h3-27H,1-2H3
InChIKeySWOLCCBJLIZPPS-UHFFFAOYSA-N
XLogP13.92
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.92
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(1,3-benzothiazol-2-yl)-9,9-dimethylfluoren-4-yl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-9,9-dimethylfluoren-4-yl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-9,9-dimethylfluoren-4-yl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzofuran-3-amine (CID 166918056) is N-[2-(1,3-benzothiazol-2-yl)-9,9-dimethylfluoren-4-yl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-9,9-dimethylfluoren-4-yl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-9,9-dimethylfluoren-4-yl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzofuran-3-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4nc5ccccc5s4)cc3)c3ccc4c(c3)oc3ccccc34)cc(-c3nc4ccccc4s3)cc21.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-9,9-dimethylfluoren-4-yl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is SWOLCCBJLIZPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3OS2/c1-47(2)35-13-5-3-12-34(35)44-36(47)25-29(46-49-38-15-7-10-18-43(38)53-46)26-39(44)50(31-23-24-33-32-11-4-8-16-40(32)51-41(33)27-31)30-21-19-28(20-22-30)45-48-37-14-6-9-17-42(37)52-45/h3-27H,1-2H3.
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-9,9-dimethylfluoren-4-yl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzofuran-3-amine?
N-[2-(1,3-benzothiazol-2-yl)-9,9-dimethylfluoren-4-yl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 717.92 g/mol, XLogP of 13.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)-9,9-dimethylfluoren-4-yl]-N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 166918056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.