9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole

C41H23F2N3O — CID 89433790

IUPAC9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole
SMILESFc1ccc2c(c1)c1cc(F)ccc1n2-c1cccc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)n1
InChIInChI=1S/C41H23F2N3O/c42-25-13-16-37-30(21-25)31-22-26(43)14-17-38(31)46(37)41-11-5-8-34(44-41)24-12-18-39-32(20-24)33-23-27(15-19-40(33)47-39)45-35-9-3-1-6-28(35)29-7-2-4-10-36(29)45/h1-23H
InChIKeyLGOIXGWNAZUWOX-UHFFFAOYSA-N
MW611.65 g/mol
LogP11.12
Rot. Bonds3

About 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole

9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole (PubChem CID 89433790) has the molecular formula C41H23F2N3O and a molecular weight of 611.65 g/mol. Its IUPAC name is 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole.

Molecular Properties

Compound Name9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole
PubChem CID89433790
Molecular FormulaC41H23F2N3O
Molecular Weight611.65 g/mol
Exact Mass611.18
IUPAC Name9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole
SMILESFc1ccc2c(c1)c1cc(F)ccc1n2-c1cccc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)n1
InChIInChI=1S/C41H23F2N3O/c42-25-13-16-37-30(21-25)31-22-26(43)14-17-38(31)46(37)41-11-5-8-34(44-41)24-12-18-39-32(20-24)33-23-27(15-19-40(33)47-39)45-35-9-3-1-6-28(35)29-7-2-4-10-36(29)45/h1-23H
InChIKeyLGOIXGWNAZUWOX-UHFFFAOYSA-N
XLogP11.12
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.65
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole 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 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole?
The IUPAC name of 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole (CID 89433790) is 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole.
What is the SMILES notation for 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole?
The canonical SMILES for 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole is Fc1ccc2c(c1)c1cc(F)ccc1n2-c1cccc(-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)n1.
What is the InChIKey of 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole?
The InChIKey is LGOIXGWNAZUWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23F2N3O/c42-25-13-16-37-30(21-25)31-22-26(43)14-17-38(31)46(37)41-11-5-8-34(44-41)24-12-18-39-32(20-24)33-23-27(15-19-40(33)47-39)45-35-9-3-1-6-28(35)29-7-2-4-10-36(29)45/h1-23H.
What are the key properties of 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole?
9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole has a molecular weight of 611.65 g/mol, XLogP of 11.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole is sourced from PubChem (CID 89433790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).