10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen

C28H19NS — CID 142569776

IUPAC10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen
SMILES[H][H].c1ccc2c(c1)ccc1c3cccc(-c4cccc5sc6ccccc6c45)c3[nH]c21
InChIInChI=1S/C28H17NS.H2/c1-2-8-18-17(7-1)15-16-22-21-12-5-11-20(28(21)29-27(18)22)19-10-6-14-25-26(19)23-9-3-4-13-24(23)30-25;/h1-16,29H;1H
InChIKeyHNXHOWLVFHOTAX-UHFFFAOYSA-N
MW401.53 g/mol
LogP8.76
Rot. Bonds1

About 10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen

10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen (PubChem CID 142569776) has the molecular formula C28H19NS and a molecular weight of 401.53 g/mol. Its IUPAC name is 10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen.

Molecular Properties

Compound Name10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen
PubChem CID142569776
Molecular FormulaC28H19NS
Molecular Weight401.53 g/mol
Exact Mass401.12
IUPAC Name10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen
SMILES[H][H].c1ccc2c(c1)ccc1c3cccc(-c4cccc5sc6ccccc6c45)c3[nH]c21
InChIInChI=1S/C28H17NS.H2/c1-2-8-18-17(7-1)15-16-22-21-12-5-11-20(28(21)29-27(18)22)19-10-6-14-25-26(19)23-9-3-4-13-24(23)30-25;/h1-16,29H;1H
InChIKeyHNXHOWLVFHOTAX-UHFFFAOYSA-N
XLogP8.76
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.53
LogP ≤ 58.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

10-(3-dibenzothiophen-1-ylphenyl)-11H-benzo[a]carbazole
CID 142568734
8-dibenzothiophen-1-yl-7H-benzo[c]carbazole
CID 142570089
2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole
CID 166134111
1-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-9H-carbazole
CID 142570567
22-thia-12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 134224749
3-azaheptacyclo[15.12.0.02,14.04,13.05,10.018,27.021,26]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25,28-tetradecaene
CID 175582575
8-(5-dibenzothiophen-3-ylnaphthalen-1-yl)-7H-benzo[c]carbazole
CID 142569583
7-chloro-1-naphthalen-1-yldibenzothiophene
CID 166055459
2-dibenzothiophen-1-yl-1H-indole
CID 175594663
1-dibenzothiophen-1-yl-N,N-dinaphthalen-2-yl-9H-carbazol-3-amine
CID 154697134
N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-phenylaniline
CID 167184371
10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 122415638

Frequently Asked Questions

What is the IUPAC name of 10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen?
The IUPAC name of 10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen (CID 142569776) is 10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen.
What is the SMILES notation for 10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen?
The canonical SMILES for 10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen is [H][H].c1ccc2c(c1)ccc1c3cccc(-c4cccc5sc6ccccc6c45)c3[nH]c21.
What is the InChIKey of 10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen?
The InChIKey is HNXHOWLVFHOTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17NS.H2/c1-2-8-18-17(7-1)15-16-22-21-12-5-11-20(28(21)29-27(18)22)19-10-6-14-25-26(19)23-9-3-4-13-24(23)30-25;/h1-16,29H;1H.
What are the key properties of 10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen?
10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen has a molecular weight of 401.53 g/mol, XLogP of 8.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen is sourced from PubChem (CID 142569776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).