1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole

C34H21NS — CID 142570567

IUPAC1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole
SMILESc1ccc(-c2ccc3[nH]c4c(-c5ccc6c(c5)sc5ccc7ccccc7c56)cccc4c3c2)cc1
InChIInChI=1S/C34H21NS/c1-2-7-21(8-3-1)23-14-17-30-29(19-23)27-12-6-11-26(34(27)35-30)24-13-16-28-32(20-24)36-31-18-15-22-9-4-5-10-25(22)33(28)31/h1-20,35H
InChIKeyAMDAFEGNYUDEMM-UHFFFAOYSA-N
MW475.62 g/mol
LogP10.18
Rot. Bonds2

About 1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole

1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole (PubChem CID 142570567) has the molecular formula C34H21NS and a molecular weight of 475.62 g/mol. Its IUPAC name is 1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole.

Molecular Properties

Compound Name1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole
PubChem CID142570567
Molecular FormulaC34H21NS
Molecular Weight475.62 g/mol
Exact Mass475.14
IUPAC Name1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole
SMILESc1ccc(-c2ccc3[nH]c4c(-c5ccc6c(c5)sc5ccc7ccccc7c56)cccc4c3c2)cc1
InChIInChI=1S/C34H21NS/c1-2-7-21(8-3-1)23-14-17-30-29(19-23)27-12-6-11-26(34(27)35-30)24-13-16-28-32(20-24)36-31-18-15-22-9-4-5-10-25(22)33(28)31/h1-20,35H
InChIKeyAMDAFEGNYUDEMM-UHFFFAOYSA-N
XLogP10.18
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.62
LogP ≤ 510.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-(4-dibenzothiophen-2-ylphenyl)-7H-benzo[c]carbazole
CID 142567945
3-dibenzothiophen-1-yl-N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170040977
10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole
CID 142568734
8-(5-dibenzothiophen-3-ylnaphthalen-1-yl)-7H-benzo[c]carbazole
CID 142569583
N-naphthalen-2-yl-8-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N-(4-phenylphenyl)-9H-carbazol-3-amine
CID 154697274
boric acid;9-phenyl-12H-[1]benzothiolo[3,2-a]carbazole
CID 159474235
8-dibenzothiophen-1-yl-7H-benzo[c]carbazole
CID 142570089
9-[3-(4-bromophenyl)phenyl]naphtho[2,1-b][1]benzothiole
CID 118616526
10-(3-triphenylen-2-ylphenyl)naphtho[2,1-b][1]benzothiole
CID 155401269
3-naphthalen-1-yl-6-phenyl-9H-carbazole
CID 118099289
8-(9H-carbazol-1-yl)-N,N-dinaphthalen-2-yldibenzothiophen-2-amine
CID 154697158
1-(4-dibenzothiophen-2-ylphenyl)-9H-carbazole
CID 142569531

Frequently Asked Questions

What is the IUPAC name of 1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole?
The IUPAC name of 1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole (CID 142570567) is 1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole.
What is the SMILES notation for 1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole?
The canonical SMILES for 1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole is c1ccc(-c2ccc3[nH]c4c(-c5ccc6c(c5)sc5ccc7ccccc7c56)cccc4c3c2)cc1.
What is the InChIKey of 1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole?
The InChIKey is AMDAFEGNYUDEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21NS/c1-2-7-21(8-3-1)23-14-17-30-29(19-23)27-12-6-11-26(34(27)35-30)24-13-16-28-32(20-24)36-31-18-15-22-9-4-5-10-25(22)33(28)31/h1-20,35H.
What are the key properties of 1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole?
1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole has a molecular weight of 475.62 g/mol, XLogP of 10.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole is sourced from PubChem (CID 142570567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).