2-[2-(9,9-dimethylacridin-10-yl)selenophen-3-yl]propan-2-ol

C22H23NOSe — CID 164816568

IUPAC2-[2-(9,9-dimethylacridin-10-yl)selenophen-3-yl]propan-2-ol
SMILESCC(C)(O)c1cc[se]c1N1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C22H23NOSe/c1-21(2)15-9-5-7-11-18(15)23(19-12-8-6-10-16(19)21)20-17(13-14-25-20)22(3,4)24/h5-14,24H,1-4H3
InChIKeyAMHZUEXIQQHDEA-UHFFFAOYSA-N
MW396.39 g/mol
LogP5.08
Rot. Bonds2

About 2-[2-(9,9-dimethylacridin-10-yl)selenophen-3-yl]propan-2-ol

2-[2-(9,9-dimethylacridin-10-yl)selenophen-3-yl]propan-2-ol (PubChem CID 164816568) has the molecular formula C22H23NOSe and a molecular weight of 396.39 g/mol. Its IUPAC name is 2-[2-(9,9-dimethylacridin-10-yl)selenophen-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(9,9-dimethylacridin-10-yl)selenophen-3-yl]propan-2-ol
PubChem CID164816568
Molecular FormulaC22H23NOSe
Molecular Weight396.39 g/mol
Exact Mass397.09
IUPAC Name2-[2-(9,9-dimethylacridin-10-yl)selenophen-3-yl]propan-2-ol
SMILESCC(C)(O)c1cc[se]c1N1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C22H23NOSe/c1-21(2)15-9-5-7-11-18(15)23(19-12-8-6-10-16(19)21)20-17(13-14-25-20)22(3,4)24/h5-14,24H,1-4H3
InChIKeyAMHZUEXIQQHDEA-UHFFFAOYSA-N
XLogP5.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.39
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(9,9-dimethylacridin-10-yl)-5-trimethylsilylselenophen-3-yl]propan-2-ol
CID 164816575
10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
CID 59399619
10-[5-(9,9-dimethylacridin-10-yl)thiophen-2-yl]-9,9-dimethylacridine
CID 59399701
9,9,10-trimethylacridine
CID 610451
10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine
CID 135130813
2-(2-pyrrol-1-ylphenyl)propan-2-ol
CID 84820702
10-[2-[7-[2-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylacridine
CID 130438692
ethane;7,7,14,14-tetramethyl-5-phenyl-12-[4-[2,3,3,4-tetramethyl-4-[4-(7,7,14,14-tetramethyl-5-phenylquinolino[2,3-b]acridin-12-yl)phenyl]pentan-2-yl]phenyl]quinolino[2,3-b]acridine
CID 145348376
10-[8-(9,9-dimethylacridin-10-yl)quinoxalin-5-yl]-9,9-dimethylacridine
CID 121327146
8,8,14,14-tetramethyl-11-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90330276
10,10,14,14-tetramethyl-21-[5-(10,10,14,14-tetramethyl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-21-yl)naphthalen-1-yl]-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459631
4-(9,9-dimethylacridin-10-yl)naphthalen-1-amine
CID 144936396

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9,9-dimethylacridin-10-yl)selenophen-3-yl]propan-2-ol?
The IUPAC name of 2-[2-(9,9-dimethylacridin-10-yl)selenophen-3-yl]propan-2-ol (CID 164816568) is 2-[2-(9,9-dimethylacridin-10-yl)selenophen-3-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(9,9-dimethylacridin-10-yl)selenophen-3-yl]propan-2-ol?
The canonical SMILES for 2-[2-(9,9-dimethylacridin-10-yl)selenophen-3-yl]propan-2-ol is CC(C)(O)c1cc[se]c1N1c2ccccc2C(C)(C)c2ccccc21.
What is the InChIKey of 2-[2-(9,9-dimethylacridin-10-yl)selenophen-3-yl]propan-2-ol?
The InChIKey is AMHZUEXIQQHDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NOSe/c1-21(2)15-9-5-7-11-18(15)23(19-12-8-6-10-16(19)21)20-17(13-14-25-20)22(3,4)24/h5-14,24H,1-4H3.
What are the key properties of 2-[2-(9,9-dimethylacridin-10-yl)selenophen-3-yl]propan-2-ol?
2-[2-(9,9-dimethylacridin-10-yl)selenophen-3-yl]propan-2-ol has a molecular weight of 396.39 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9,9-dimethylacridin-10-yl)selenophen-3-yl]propan-2-ol is sourced from PubChem (CID 164816568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).