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

C41H23F2N3O — CID 89433789

IUPAC9-[8-(6-carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole
SMILESFc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc2oc3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)n4)cc3c2c1
InChIInChI=1S/C41H23F2N3O/c42-25-13-16-37-30(21-25)31-22-26(43)14-17-38(31)45(37)27-15-19-40-33(23-27)32-20-24(12-18-39(32)47-40)34-8-5-11-41(44-34)46-35-9-3-1-6-28(35)29-7-2-4-10-36(29)46/h1-23H
InChIKeyXBOCFSPIJDXYCA-UHFFFAOYSA-N
MW611.65 g/mol
LogP11.12
Rot. Bonds3

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

9-[8-(6-carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole (PubChem CID 89433789) has the molecular formula C41H23F2N3O and a molecular weight of 611.65 g/mol. Its IUPAC name is 9-[8-(6-carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole.

Molecular Properties

Compound Name9-[8-(6-carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole
PubChem CID89433789
Molecular FormulaC41H23F2N3O
Molecular Weight611.65 g/mol
Exact Mass611.18
IUPAC Name9-[8-(6-carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole
SMILESFc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc2oc3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)n4)cc3c2c1
InChIInChI=1S/C41H23F2N3O/c42-25-13-16-37-30(21-25)31-22-26(43)14-17-38(31)45(37)27-15-19-40-33(23-27)32-20-24(12-18-39(32)47-40)34-8-5-11-41(44-34)46-35-9-3-1-6-28(35)29-7-2-4-10-36(29)46/h1-23H
InChIKeyXBOCFSPIJDXYCA-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

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Related Compounds

2,8-Di(9H-carbazol-9-yl)dibenzo[b,d]furan
CID 59348257
2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenylcarbazole-2,7-diamine
CID 23593191
2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
CID 23593276
9-(8-Fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
CID 58511053
4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline
CID 66585175
N-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-carbazol-9-yl-N-(4-fluorophenyl)aniline
CID 66585365
3-Dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 67701944
3-[9-Dibenzofuran-2-yl-6-(6-fluoro-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-fluoro-9-phenylcarbazole
CID 68112373
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-4-phenylaniline
CID 68230151
N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 68230409
7-(4-Dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole
CID 71109047
12-[4-(4-Dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole
CID 71291224

Frequently Asked Questions

What is the IUPAC name of 9-[8-(6-carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole?
The IUPAC name of 9-[8-(6-carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole (CID 89433789) is 9-[8-(6-carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole.
What is the SMILES notation for 9-[8-(6-carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole?
The canonical SMILES for 9-[8-(6-carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole is Fc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc2oc3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)n4)cc3c2c1.
What is the InChIKey of 9-[8-(6-carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole?
The InChIKey is XBOCFSPIJDXYCA-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)45(37)27-15-19-40-33(23-27)32-20-24(12-18-39(32)47-40)34-8-5-11-41(44-34)46-35-9-3-1-6-28(35)29-7-2-4-10-36(29)46/h1-23H.
What are the key properties of 9-[8-(6-carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole?
9-[8-(6-carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-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-[8-(6-carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole is sourced from PubChem (CID 89433789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).