9-[9-(4a,9b-dihydrodibenzofuran-3-yl)dibenzothiophen-3-yl]carbazole

C36H23NOS — CID 170286309

IUPAC9-[9-(4a,9b-dihydrodibenzofuran-3-yl)dibenzothiophen-3-yl]carbazole
SMILESC1=CC2c3ccccc3OC2C=C1c1cccc2sc3cc(-n4c5ccccc5c5ccccc54)ccc3c12
InChIInChI=1S/C36H23NOS/c1-4-12-30-25(8-1)26-9-2-5-13-31(26)37(30)23-17-19-29-35(21-23)39-34-15-7-11-24(36(29)34)22-16-18-28-27-10-3-6-14-32(27)38-33(28)20-22/h1-21,28,33H
InChIKeyPQMHXGOMJDXLQI-UHFFFAOYSA-N
MW517.65 g/mol
LogP9.65
Rot. Bonds2

About 9-[9-(4a,9b-dihydrodibenzofuran-3-yl)dibenzothiophen-3-yl]carbazole

9-[9-(4a,9b-dihydrodibenzofuran-3-yl)dibenzothiophen-3-yl]carbazole (PubChem CID 170286309) has the molecular formula C36H23NOS and a molecular weight of 517.65 g/mol. Its IUPAC name is 9-[9-(4a,9b-dihydrodibenzofuran-3-yl)dibenzothiophen-3-yl]carbazole.

Molecular Properties

Compound Name9-[9-(4a,9b-dihydrodibenzofuran-3-yl)dibenzothiophen-3-yl]carbazole
PubChem CID170286309
Molecular FormulaC36H23NOS
Molecular Weight517.65 g/mol
Exact Mass517.15
IUPAC Name9-[9-(4a,9b-dihydrodibenzofuran-3-yl)dibenzothiophen-3-yl]carbazole
SMILESC1=CC2c3ccccc3OC2C=C1c1cccc2sc3cc(-n4c5ccccc5c5ccccc54)ccc3c12
InChIInChI=1S/C36H23NOS/c1-4-12-30-25(8-1)26-9-2-5-13-31(26)37(30)23-17-19-29-35(21-23)39-34-15-7-11-24(36(29)34)22-16-18-28-27-10-3-6-14-32(27)38-33(28)20-22/h1-21,28,33H
InChIKeyPQMHXGOMJDXLQI-UHFFFAOYSA-N
XLogP9.65
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.65
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[9-(4a,9b-dihydrodibenzofuran-4-yl)dibenzothiophen-2-yl]carbazole
CID 170278100
9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole
CID 170688529
7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
CID 90372072
12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170287498
N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 170379902
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole
CID 176831682
9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 166962088
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole
CID 169010620
7-carbazol-9-yl-N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 90371923
2-(4a,9b-dihydrodibenzofuran-2-yl)-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298421
3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 177077367
9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170688535

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4a,9b-dihydrodibenzofuran-3-yl)dibenzothiophen-3-yl]carbazole?
The IUPAC name of 9-[9-(4a,9b-dihydrodibenzofuran-3-yl)dibenzothiophen-3-yl]carbazole (CID 170286309) is 9-[9-(4a,9b-dihydrodibenzofuran-3-yl)dibenzothiophen-3-yl]carbazole.
What is the SMILES notation for 9-[9-(4a,9b-dihydrodibenzofuran-3-yl)dibenzothiophen-3-yl]carbazole?
The canonical SMILES for 9-[9-(4a,9b-dihydrodibenzofuran-3-yl)dibenzothiophen-3-yl]carbazole is C1=CC2c3ccccc3OC2C=C1c1cccc2sc3cc(-n4c5ccccc5c5ccccc54)ccc3c12.
What is the InChIKey of 9-[9-(4a,9b-dihydrodibenzofuran-3-yl)dibenzothiophen-3-yl]carbazole?
The InChIKey is PQMHXGOMJDXLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NOS/c1-4-12-30-25(8-1)26-9-2-5-13-31(26)37(30)23-17-19-29-35(21-23)39-34-15-7-11-24(36(29)34)22-16-18-28-27-10-3-6-14-32(27)38-33(28)20-22/h1-21,28,33H.
What are the key properties of 9-[9-(4a,9b-dihydrodibenzofuran-3-yl)dibenzothiophen-3-yl]carbazole?
9-[9-(4a,9b-dihydrodibenzofuran-3-yl)dibenzothiophen-3-yl]carbazole has a molecular weight of 517.65 g/mol, XLogP of 9.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(4a,9b-dihydrodibenzofuran-3-yl)dibenzothiophen-3-yl]carbazole is sourced from PubChem (CID 170286309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).