[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]methanamine

C25H18N2S — CID 170130014

IUPAC[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]methanamine
SMILESNCc1ccccc1-n1c2ccccc2c2cc3c(cc21)sc1ccccc13
InChIInChI=1S/C25H18N2S/c26-15-16-7-1-4-10-21(16)27-22-11-5-2-8-17(22)19-13-20-18-9-3-6-12-24(18)28-25(20)14-23(19)27/h1-14H,15,26H2
InChIKeyVIEYIOAWYGDAOR-UHFFFAOYSA-N
MW378.50 g/mol
LogP6.61
Rot. Bonds2

About [2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]methanamine

[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]methanamine (PubChem CID 170130014) has the molecular formula C25H18N2S and a molecular weight of 378.50 g/mol. Its IUPAC name is [2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]methanamine
PubChem CID170130014
Molecular FormulaC25H18N2S
Molecular Weight378.50 g/mol
Exact Mass378.12
IUPAC Name[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]methanamine
SMILESNCc1ccccc1-n1c2ccccc2c2cc3c(cc21)sc1ccccc13
InChIInChI=1S/C25H18N2S/c26-15-16-7-1-4-10-21(16)27-22-11-5-2-8-17(22)19-13-20-18-9-3-6-12-24(18)28-25(20)14-23(19)27/h1-14H,15,26H2
InChIKeyVIEYIOAWYGDAOR-UHFFFAOYSA-N
XLogP6.61
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126652548
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
7-(4,6-dichloro-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 177252934
7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193311
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
11-(9-phenylcarbazol-1-yl)-[1]benzothiolo[3,2-b]carbazole
CID 118502879
7-iodo-[1]benzothiolo[2,3-b]carbazole
CID 126517461
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
2,3-bis([1]benzothiolo[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 166572494
7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193195
7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 142356250

Frequently Asked Questions

What is the IUPAC name of [2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]methanamine?
The IUPAC name of [2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]methanamine (CID 170130014) is [2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]methanamine.
What is the SMILES notation for [2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]methanamine?
The canonical SMILES for [2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]methanamine is NCc1ccccc1-n1c2ccccc2c2cc3c(cc21)sc1ccccc13.
What is the InChIKey of [2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]methanamine?
The InChIKey is VIEYIOAWYGDAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2S/c26-15-16-7-1-4-10-21(16)27-22-11-5-2-8-17(22)19-13-20-18-9-3-6-12-24(18)28-25(20)14-23(19)27/h1-14H,15,26H2.
What are the key properties of [2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]methanamine?
[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]methanamine has a molecular weight of 378.50 g/mol, XLogP of 6.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]methanamine is sourced from PubChem (CID 170130014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).