7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine

C30H20N2S — CID 155299869

IUPAC7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine
SMILESNc1ccc2c(c1)sc1cc(-c3ccccc3-n3c4ccccc4c4ccccc43)ccc12
InChIInChI=1S/C30H20N2S/c31-20-14-16-25-24-15-13-19(17-29(24)33-30(25)18-20)21-7-1-4-10-26(21)32-27-11-5-2-8-22(27)23-9-3-6-12-28(23)32/h1-18H,31H2
InChIKeyCTJYIQYKIIHHQK-UHFFFAOYSA-N
MW440.57 g/mol
LogP8.40
Rot. Bonds2

About 7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine

7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine (PubChem CID 155299869) has the molecular formula C30H20N2S and a molecular weight of 440.57 g/mol. Its IUPAC name is 7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound Name7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine
PubChem CID155299869
Molecular FormulaC30H20N2S
Molecular Weight440.57 g/mol
Exact Mass440.13
IUPAC Name7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine
SMILESNc1ccc2c(c1)sc1cc(-c3ccccc3-n3c4ccccc4c4ccccc43)ccc12
InChIInChI=1S/C30H20N2S/c31-20-14-16-25-24-15-13-19(17-29(24)33-30(25)18-20)21-7-1-4-10-26(21)32-27-11-5-2-8-22(27)23-9-3-6-12-28(23)32/h1-18H,31H2
InChIKeyCTJYIQYKIIHHQK-UHFFFAOYSA-N
XLogP8.40
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole
CID 118534297
8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine
CID 139565903
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline
CID 147107274
8-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 126596466
8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile
CID 126577581
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-2-phenylaniline
CID 155396593
4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile
CID 167149364
5,11-bis(4-dibenzothiophen-3-ylnaphthalen-1-yl)indolo[3,2-b]carbazole
CID 170393963
1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 166037126
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile
CID 126577540
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167322828

Frequently Asked Questions

What is the IUPAC name of 7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine?
The IUPAC name of 7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine (CID 155299869) is 7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for 7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for 7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine is Nc1ccc2c(c1)sc1cc(-c3ccccc3-n3c4ccccc4c4ccccc43)ccc12.
What is the InChIKey of 7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine?
The InChIKey is CTJYIQYKIIHHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2S/c31-20-14-16-25-24-15-13-19(17-29(24)33-30(25)18-20)21-7-1-4-10-26(21)32-27-11-5-2-8-22(27)23-9-3-6-12-28(23)32/h1-18H,31H2.
What are the key properties of 7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine?
7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine has a molecular weight of 440.57 g/mol, XLogP of 8.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 155299869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).