9-[9-(4a,9b-dihydrodibenzofuran-4-yl)dibenzothiophen-2-yl]carbazole

C36H23NOS — CID 170278100

IUPAC9-[9-(4a,9b-dihydrodibenzofuran-4-yl)dibenzothiophen-2-yl]carbazole
SMILESC1=CC2c3ccccc3OC2C(c2cccc3sc4ccc(-n5c6ccccc6c6ccccc65)cc4c23)=C1
InChIInChI=1S/C36H23NOS/c1-4-15-30-23(9-1)24-10-2-5-16-31(24)37(30)22-19-20-33-29(21-22)35-26(12-8-18-34(35)39-33)28-14-7-13-27-25-11-3-6-17-32(25)38-36(27)28/h1-21,27,36H
InChIKeyNGFUVBYYNMPINH-UHFFFAOYSA-N
MW517.65 g/mol
LogP9.65
Rot. Bonds2

About 9-[9-(4a,9b-dihydrodibenzofuran-4-yl)dibenzothiophen-2-yl]carbazole

9-[9-(4a,9b-dihydrodibenzofuran-4-yl)dibenzothiophen-2-yl]carbazole (PubChem CID 170278100) has the molecular formula C36H23NOS and a molecular weight of 517.65 g/mol. Its IUPAC name is 9-[9-(4a,9b-dihydrodibenzofuran-4-yl)dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[9-(4a,9b-dihydrodibenzofuran-4-yl)dibenzothiophen-2-yl]carbazole
PubChem CID170278100
Molecular FormulaC36H23NOS
Molecular Weight517.65 g/mol
Exact Mass517.15
IUPAC Name9-[9-(4a,9b-dihydrodibenzofuran-4-yl)dibenzothiophen-2-yl]carbazole
SMILESC1=CC2c3ccccc3OC2C(c2cccc3sc4ccc(-n5c6ccccc6c6ccccc65)cc4c23)=C1
InChIInChI=1S/C36H23NOS/c1-4-15-30-23(9-1)24-10-2-5-16-31(24)37(30)22-19-20-33-29(21-22)35-26(12-8-18-34(35)39-33)28-14-7-13-27-25-11-3-6-17-32(25)38-36(27)28/h1-21,27,36H
InChIKeyNGFUVBYYNMPINH-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-3-yl)dibenzothiophen-3-yl]carbazole
CID 170286309
9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
CID 170278265
9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170688535
3-carbazol-9-yl-9-[9-(8-carbazol-9-yldibenzothiophen-1-yl)carbazol-3-yl]carbazole
CID 176831748
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
12-(9-bromodibenzothiophen-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 148600416
11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170287575
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-2-yl]carbazole
CID 169010773
5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 170688562
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 169010957
1-dibenzothiophen-1-yl-9-phenylcarbazole
CID 137466628

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4a,9b-dihydrodibenzofuran-4-yl)dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-[9-(4a,9b-dihydrodibenzofuran-4-yl)dibenzothiophen-2-yl]carbazole (CID 170278100) is 9-[9-(4a,9b-dihydrodibenzofuran-4-yl)dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[9-(4a,9b-dihydrodibenzofuran-4-yl)dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[9-(4a,9b-dihydrodibenzofuran-4-yl)dibenzothiophen-2-yl]carbazole is C1=CC2c3ccccc3OC2C(c2cccc3sc4ccc(-n5c6ccccc6c6ccccc65)cc4c23)=C1.
What is the InChIKey of 9-[9-(4a,9b-dihydrodibenzofuran-4-yl)dibenzothiophen-2-yl]carbazole?
The InChIKey is NGFUVBYYNMPINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NOS/c1-4-15-30-23(9-1)24-10-2-5-16-31(24)37(30)22-19-20-33-29(21-22)35-26(12-8-18-34(35)39-33)28-14-7-13-27-25-11-3-6-17-32(25)38-36(27)28/h1-21,27,36H.
What are the key properties of 9-[9-(4a,9b-dihydrodibenzofuran-4-yl)dibenzothiophen-2-yl]carbazole?
9-[9-(4a,9b-dihydrodibenzofuran-4-yl)dibenzothiophen-2-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-4-yl)dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 170278100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).