6-dibenzofuran-2-yl-12-phenyl-[1]benzothiolo[3,2-a]carbazole

C36H21NOS — CID 134530310

IUPAC6-dibenzofuran-2-yl-12-phenyl-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)c4sc5ccccc5c4c32)cc1
InChIInChI=1S/C36H21NOS/c1-2-10-23(11-3-1)37-30-15-7-4-12-24(30)29-21-27(36-34(35(29)37)26-14-6-9-17-33(26)39-36)22-18-19-32-28(20-22)25-13-5-8-16-31(25)38-32/h1-21H
InChIKeyFJHIHOCPQAIZII-UHFFFAOYSA-N
MW515.64 g/mol
LogP10.72
Rot. Bonds2

About 6-dibenzofuran-2-yl-12-phenyl-[1]benzothiolo[3,2-a]carbazole

6-dibenzofuran-2-yl-12-phenyl-[1]benzothiolo[3,2-a]carbazole (PubChem CID 134530310) has the molecular formula C36H21NOS and a molecular weight of 515.64 g/mol. Its IUPAC name is 6-dibenzofuran-2-yl-12-phenyl-[1]benzothiolo[3,2-a]carbazole.

Molecular Properties

Compound Name6-dibenzofuran-2-yl-12-phenyl-[1]benzothiolo[3,2-a]carbazole
PubChem CID134530310
Molecular FormulaC36H21NOS
Molecular Weight515.64 g/mol
Exact Mass515.13
IUPAC Name6-dibenzofuran-2-yl-12-phenyl-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)c4sc5ccccc5c4c32)cc1
InChIInChI=1S/C36H21NOS/c1-2-10-23(11-3-1)37-30-15-7-4-12-24(30)29-21-27(36-34(35(29)37)26-14-6-9-17-33(26)39-36)22-18-19-32-28(20-22)25-13-5-8-16-31(25)38-32/h1-21H
InChIKeyFJHIHOCPQAIZII-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

8-dibenzofuran-2-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827969
6-(3-bromophenyl)-12-phenyl-[1]benzothiolo[3,2-a]carbazole
CID 122578688
1-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 130265326
3-N-dibenzofuran-1-yl-3-N-phenyl-5-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 162465014
9-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]carbazole
CID 170348325
N-[4-(12-dibenzofuran-2-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-4-methyl-3-(2-methylphenyl)-N-(4-phenylphenyl)aniline
CID 122578558
4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 142592805
1-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767741
3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170135119
2-(4-dibenzofuran-2-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534556
3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158805799
9-phenyl-3-[8-(4-phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]carbazole
CID 164838503

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-2-yl-12-phenyl-[1]benzothiolo[3,2-a]carbazole?
The IUPAC name of 6-dibenzofuran-2-yl-12-phenyl-[1]benzothiolo[3,2-a]carbazole (CID 134530310) is 6-dibenzofuran-2-yl-12-phenyl-[1]benzothiolo[3,2-a]carbazole.
What is the SMILES notation for 6-dibenzofuran-2-yl-12-phenyl-[1]benzothiolo[3,2-a]carbazole?
The canonical SMILES for 6-dibenzofuran-2-yl-12-phenyl-[1]benzothiolo[3,2-a]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)c4sc5ccccc5c4c32)cc1.
What is the InChIKey of 6-dibenzofuran-2-yl-12-phenyl-[1]benzothiolo[3,2-a]carbazole?
The InChIKey is FJHIHOCPQAIZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NOS/c1-2-10-23(11-3-1)37-30-15-7-4-12-24(30)29-21-27(36-34(35(29)37)26-14-6-9-17-33(26)39-36)22-18-19-32-28(20-22)25-13-5-8-16-31(25)38-32/h1-21H.
What are the key properties of 6-dibenzofuran-2-yl-12-phenyl-[1]benzothiolo[3,2-a]carbazole?
6-dibenzofuran-2-yl-12-phenyl-[1]benzothiolo[3,2-a]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 6-dibenzofuran-2-yl-12-phenyl-[1]benzothiolo[3,2-a]carbazole is sourced from PubChem (CID 134530310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).