12-(7-dibenzofuran-1-yl-2,3-dihydrodibenzofuran-2-yl)-[1]benzothiolo[2,3-a]carbazole

C42H25NO2S — CID 170277889

IUPAC12-(7-dibenzofuran-1-yl-2,3-dihydrodibenzofuran-2-yl)-[1]benzothiolo[2,3-a]carbazole
SMILESC1=c2oc3cc(-c4cccc5oc6ccccc6c45)ccc3c2=CC(n2c3ccccc3c3ccc4c5ccccc5sc4c32)C1
InChIInChI=1S/C42H25NO2S/c1-4-12-34-27(8-1)30-19-20-31-29-9-3-6-15-39(29)46-42(31)41(30)43(34)25-17-21-36-33(23-25)28-18-16-24(22-38(28)45-36)26-11-7-14-37-40(26)32-10-2-5-13-35(32)44-37/h1-16,18-23,25H,17H2
InChIKeyVYXOKRGYDCCARX-UHFFFAOYSA-N
MW607.73 g/mol
LogP10.68
Rot. Bonds2

About 12-(7-dibenzofuran-1-yl-2,3-dihydrodibenzofuran-2-yl)-[1]benzothiolo[2,3-a]carbazole

12-(7-dibenzofuran-1-yl-2,3-dihydrodibenzofuran-2-yl)-[1]benzothiolo[2,3-a]carbazole (PubChem CID 170277889) has the molecular formula C42H25NO2S and a molecular weight of 607.73 g/mol. Its IUPAC name is 12-(7-dibenzofuran-1-yl-2,3-dihydrodibenzofuran-2-yl)-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(7-dibenzofuran-1-yl-2,3-dihydrodibenzofuran-2-yl)-[1]benzothiolo[2,3-a]carbazole
PubChem CID170277889
Molecular FormulaC42H25NO2S
Molecular Weight607.73 g/mol
Exact Mass607.16
IUPAC Name12-(7-dibenzofuran-1-yl-2,3-dihydrodibenzofuran-2-yl)-[1]benzothiolo[2,3-a]carbazole
SMILESC1=c2oc3cc(-c4cccc5oc6ccccc6c45)ccc3c2=CC(n2c3ccccc3c3ccc4c5ccccc5sc4c32)C1
InChIInChI=1S/C42H25NO2S/c1-4-12-34-27(8-1)30-19-20-31-29-9-3-6-15-39(29)46-42(31)41(30)43(34)25-17-21-36-33(23-25)28-18-16-24(22-38(28)45-36)26-11-7-14-37-40(26)32-10-2-5-13-35(32)44-37/h1-16,18-23,25H,17H2
InChIKeyVYXOKRGYDCCARX-UHFFFAOYSA-N
XLogP10.68
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.73
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole
CID 170277042
7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran
CID 129100766
12-(3-dibenzofuran-1-yl-4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 171612078
2-([1]benzothiolo[2,3-a]carbazol-12-yl)-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167453317
12-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 154946498
12-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163773711
12-[9-(4-phenylphenyl)dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole
CID 170688634
9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-1-dibenzothiophen-4-ylcarbazole
CID 163852229
1-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534650
9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170276632
2-(7-naphtho[1,2-b][1]benzothiol-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741125
9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzothiol-2-yl-1,3,5-triazin-2-yl)carbazole
CID 146657971

Frequently Asked Questions

What is the IUPAC name of 12-(7-dibenzofuran-1-yl-2,3-dihydrodibenzofuran-2-yl)-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 12-(7-dibenzofuran-1-yl-2,3-dihydrodibenzofuran-2-yl)-[1]benzothiolo[2,3-a]carbazole (CID 170277889) is 12-(7-dibenzofuran-1-yl-2,3-dihydrodibenzofuran-2-yl)-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 12-(7-dibenzofuran-1-yl-2,3-dihydrodibenzofuran-2-yl)-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 12-(7-dibenzofuran-1-yl-2,3-dihydrodibenzofuran-2-yl)-[1]benzothiolo[2,3-a]carbazole is C1=c2oc3cc(-c4cccc5oc6ccccc6c45)ccc3c2=CC(n2c3ccccc3c3ccc4c5ccccc5sc4c32)C1.
What is the InChIKey of 12-(7-dibenzofuran-1-yl-2,3-dihydrodibenzofuran-2-yl)-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is VYXOKRGYDCCARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2S/c1-4-12-34-27(8-1)30-19-20-31-29-9-3-6-15-39(29)46-42(31)41(30)43(34)25-17-21-36-33(23-25)28-18-16-24(22-38(28)45-36)26-11-7-14-37-40(26)32-10-2-5-13-35(32)44-37/h1-16,18-23,25H,17H2.
What are the key properties of 12-(7-dibenzofuran-1-yl-2,3-dihydrodibenzofuran-2-yl)-[1]benzothiolo[2,3-a]carbazole?
12-(7-dibenzofuran-1-yl-2,3-dihydrodibenzofuran-2-yl)-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 607.73 g/mol, XLogP of 10.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(7-dibenzofuran-1-yl-2,3-dihydrodibenzofuran-2-yl)-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 170277889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).