8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine

C30H21N3S — CID 139565903

IUPAC8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine
SMILESNc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3sc4ccc(N)cc4c3c2)c1
InChIInChI=1S/C30H21N3S/c31-19-10-12-28(33-26-7-3-1-5-21(26)22-6-2-4-8-27(22)33)23(16-19)18-9-13-29-24(15-18)25-17-20(32)11-14-30(25)34-29/h1-17H,31-32H2
InChIKeyAFUKAMBGACPNHZ-UHFFFAOYSA-N
MW455.59 g/mol
LogP7.98
Rot. Bonds2

About 8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine

8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine (PubChem CID 139565903) has the molecular formula C30H21N3S and a molecular weight of 455.59 g/mol. Its IUPAC name is 8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound Name8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine
PubChem CID139565903
Molecular FormulaC30H21N3S
Molecular Weight455.59 g/mol
Exact Mass455.15
IUPAC Name8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine
SMILESNc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3sc4ccc(N)cc4c3c2)c1
InChIInChI=1S/C30H21N3S/c31-19-10-12-28(33-26-7-3-1-5-21(26)22-6-2-4-8-27(22)33)23(16-19)18-9-13-29-24(15-18)25-17-20(32)11-14-30(25)34-29/h1-17H,31-32H2
InChIKeyAFUKAMBGACPNHZ-UHFFFAOYSA-N
XLogP7.98
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.59
LogP ≤ 57.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(8-aminodibenzothiophen-2-yl)-3-carbazol-9-ylbenzonitrile
CID 167149364
8-(5-amino-2-carbazol-9-ylphenyl)dibenzofuran-2-amine
CID 126596844
7-(2-carbazol-9-ylphenyl)dibenzothiophen-3-amine
CID 155299869
8-(6-carbazol-9-ylcyclohexa-1,5-dien-1-yl)dibenzothiophen-2-amine
CID 139566081
8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile
CID 126577581
CID 175082744
CID 175082744
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline
CID 139566104
8-[2-(2-methyl-1,2-dihydrocarbazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 126596466
9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438015
9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
CID 166037170
9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303270

Frequently Asked Questions

What is the IUPAC name of 8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine?
The IUPAC name of 8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine (CID 139565903) is 8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for 8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for 8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine is Nc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3sc4ccc(N)cc4c3c2)c1.
What is the InChIKey of 8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine?
The InChIKey is AFUKAMBGACPNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3S/c31-19-10-12-28(33-26-7-3-1-5-21(26)22-6-2-4-8-27(22)33)23(16-19)18-9-13-29-24(15-18)25-17-20(32)11-14-30(25)34-29/h1-17H,31-32H2.
What are the key properties of 8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine?
8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine has a molecular weight of 455.59 g/mol, XLogP of 7.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-amino-2-carbazol-9-ylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 139565903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).