10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole

C36H21NOS — CID 166009360

IUPAC10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc4c(cc32)sc2ccccc24)cc1
InChIInChI=1S/C36H21NOS/c1-2-8-24(9-3-1)37-31-16-14-22(23-15-17-34-29(19-23)25-10-4-6-12-33(25)38-34)18-27(31)28-20-30-26-11-5-7-13-35(26)39-36(30)21-32(28)37/h1-21H
InChIKeyMBEOAWBANSYUMH-UHFFFAOYSA-N
MW515.64 g/mol
LogP10.72
Rot. Bonds2

About 10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole

10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole (PubChem CID 166009360) has the molecular formula C36H21NOS and a molecular weight of 515.64 g/mol. Its IUPAC name is 10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
PubChem CID166009360
Molecular FormulaC36H21NOS
Molecular Weight515.64 g/mol
Exact Mass515.13
IUPAC Name10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc4c(cc32)sc2ccccc24)cc1
InChIInChI=1S/C36H21NOS/c1-2-8-24(9-3-1)37-31-16-14-22(23-15-17-34-29(19-23)25-10-4-6-12-33(25)38-34)18-27(31)28-20-30-26-11-5-7-13-35(26)39-36(30)21-32(28)37/h1-21H
InChIKeyMBEOAWBANSYUMH-UHFFFAOYSA-N
XLogP10.72
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.64
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
7-phenyl-2-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223424
3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole
CID 90265537
3-dibenzofuran-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole;3-dibenzothiophen-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 158998789
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413
10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009558
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 157163023
9-dibenzofuran-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;9-dibenzothiophen-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157326935
12-phenyl-3-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-9-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223760
7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
CID 134223431
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312

Frequently Asked Questions

What is the IUPAC name of 10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole (CID 166009360) is 10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole is c1ccc(-n2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc4c(cc32)sc2ccccc24)cc1.
What is the InChIKey of 10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is MBEOAWBANSYUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NOS/c1-2-8-24(9-3-1)37-31-16-14-22(23-15-17-34-29(19-23)25-10-4-6-12-33(25)38-34)18-27(31)28-20-30-26-11-5-7-13-35(26)39-36(30)21-32(28)37/h1-21H.
What are the key properties of 10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 515.64 g/mol, XLogP of 10.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 166009360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).