1-(3,6-dichlorocarbazol-9-yl)-3-(4,5-diphenylimidazol-1-yl)propan-2-ol

C30H23Cl2N3O — CID 3111137

IUPAC1-(3,6-dichlorocarbazol-9-yl)-3-(4,5-diphenylimidazol-1-yl)propan-2-ol
SMILESOC(Cn1cnc(-c2ccccc2)c1-c1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C30H23Cl2N3O/c31-22-11-13-27-25(15-22)26-16-23(32)12-14-28(26)35(27)18-24(36)17-34-19-33-29(20-7-3-1-4-8-20)30(34)21-9-5-2-6-10-21/h1-16,19,24,36H,17-18H2
InChIKeyLELZBUXIESJHPO-UHFFFAOYSA-N
MW512.44 g/mol
LogP7.69
Rot. Bonds6

About 1-(3,6-dichlorocarbazol-9-yl)-3-(4,5-diphenylimidazol-1-yl)propan-2-ol

1-(3,6-dichlorocarbazol-9-yl)-3-(4,5-diphenylimidazol-1-yl)propan-2-ol (PubChem CID 3111137) has the molecular formula C30H23Cl2N3O and a molecular weight of 512.44 g/mol. Its IUPAC name is 1-(3,6-dichlorocarbazol-9-yl)-3-(4,5-diphenylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dichlorocarbazol-9-yl)-3-(4,5-diphenylimidazol-1-yl)propan-2-ol
PubChem CID3111137
Molecular FormulaC30H23Cl2N3O
Molecular Weight512.44 g/mol
Exact Mass511.12
IUPAC Name1-(3,6-dichlorocarbazol-9-yl)-3-(4,5-diphenylimidazol-1-yl)propan-2-ol
SMILESOC(Cn1cnc(-c2ccccc2)c1-c1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C30H23Cl2N3O/c31-22-11-13-27-25(15-22)26-16-23(32)12-14-28(26)35(27)18-24(36)17-34-19-33-29(20-7-3-1-4-8-20)30(34)21-9-5-2-6-10-21/h1-16,19,24,36H,17-18H2
InChIKeyLELZBUXIESJHPO-UHFFFAOYSA-N
XLogP7.69
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.44
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-(4,5-diphenylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-(4,5-diphenylimidazol-1-yl)propan-2-ol (CID 3111137) is 1-(3,6-dichlorocarbazol-9-yl)-3-(4,5-diphenylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3,6-dichlorocarbazol-9-yl)-3-(4,5-diphenylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(3,6-dichlorocarbazol-9-yl)-3-(4,5-diphenylimidazol-1-yl)propan-2-ol is OC(Cn1cnc(-c2ccccc2)c1-c1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(3,6-dichlorocarbazol-9-yl)-3-(4,5-diphenylimidazol-1-yl)propan-2-ol?
The InChIKey is LELZBUXIESJHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23Cl2N3O/c31-22-11-13-27-25(15-22)26-16-23(32)12-14-28(26)35(27)18-24(36)17-34-19-33-29(20-7-3-1-4-8-20)30(34)21-9-5-2-6-10-21/h1-16,19,24,36H,17-18H2.
What are the key properties of 1-(3,6-dichlorocarbazol-9-yl)-3-(4,5-diphenylimidazol-1-yl)propan-2-ol?
1-(3,6-dichlorocarbazol-9-yl)-3-(4,5-diphenylimidazol-1-yl)propan-2-ol has a molecular weight of 512.44 g/mol, XLogP of 7.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichlorocarbazol-9-yl)-3-(4,5-diphenylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 3111137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).