9-(4a,9b-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole

C36H24N2O — CID 129111655

IUPAC9-(4a,9b-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole
SMILESC1=CC2Oc3ccccc3C2C(n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)=C1
InChIInChI=1S/C36H24N2O/c1-5-14-29-24(10-1)25-11-2-6-15-30(25)37(29)23-20-21-32-28(22-23)26-12-3-7-16-31(26)38(32)33-17-9-19-35-36(33)27-13-4-8-18-34(27)39-35/h1-22,35-36H
InChIKeyPLJSYIHCSNPCKR-UHFFFAOYSA-N
MW500.60 g/mol
LogP8.85
Rot. Bonds2

About 9-(4a,9b-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole

9-(4a,9b-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole (PubChem CID 129111655) has the molecular formula C36H24N2O and a molecular weight of 500.60 g/mol. Its IUPAC name is 9-(4a,9b-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole.

Molecular Properties

Compound Name9-(4a,9b-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole
PubChem CID129111655
Molecular FormulaC36H24N2O
Molecular Weight500.60 g/mol
Exact Mass500.19
IUPAC Name9-(4a,9b-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole
SMILESC1=CC2Oc3ccccc3C2C(n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)=C1
InChIInChI=1S/C36H24N2O/c1-5-14-29-24(10-1)25-11-2-6-15-30(25)37(29)23-20-21-32-28(22-23)26-12-3-7-16-31(26)38(32)33-17-9-19-35-36(33)27-13-4-8-18-34(27)39-35/h1-22,35-36H
InChIKeyPLJSYIHCSNPCKR-UHFFFAOYSA-N
XLogP8.85
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4a,9b-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole?
The IUPAC name of 9-(4a,9b-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole (CID 129111655) is 9-(4a,9b-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole.
What is the SMILES notation for 9-(4a,9b-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole?
The canonical SMILES for 9-(4a,9b-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole is C1=CC2Oc3ccccc3C2C(n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)=C1.
What is the InChIKey of 9-(4a,9b-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole?
The InChIKey is PLJSYIHCSNPCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O/c1-5-14-29-24(10-1)25-11-2-6-15-30(25)37(29)23-20-21-32-28(22-23)26-12-3-7-16-31(26)38(32)33-17-9-19-35-36(33)27-13-4-8-18-34(27)39-35/h1-22,35-36H.
What are the key properties of 9-(4a,9b-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole?
9-(4a,9b-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole has a molecular weight of 500.60 g/mol, XLogP of 8.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4a,9b-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole is sourced from PubChem (CID 129111655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).