1-(dibenzylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

C29H26Cl2N2O — CID 3116819

IUPAC1-(dibenzylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESOC(CN(Cc1ccccc1)Cc1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C29H26Cl2N2O/c30-23-11-13-28-26(15-23)27-16-24(31)12-14-29(27)33(28)20-25(34)19-32(17-21-7-3-1-4-8-21)18-22-9-5-2-6-10-22/h1-16,25,34H,17-20H2
InChIKeyLYNXUHAGKSBEKX-UHFFFAOYSA-N
MW489.45 g/mol
LogP7.16
Rot. Bonds8

About 1-(dibenzylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

1-(dibenzylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (PubChem CID 3116819) has the molecular formula C29H26Cl2N2O and a molecular weight of 489.45 g/mol. Its IUPAC name is 1-(dibenzylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(dibenzylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
PubChem CID3116819
Molecular FormulaC29H26Cl2N2O
Molecular Weight489.45 g/mol
Exact Mass488.14
IUPAC Name1-(dibenzylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESOC(CN(Cc1ccccc1)Cc1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C29H26Cl2N2O/c30-23-11-13-28-26(15-23)27-16-24(31)12-14-29(27)33(28)20-25(34)19-32(17-21-7-3-1-4-8-21)18-22-9-5-2-6-10-22/h1-16,25,34H,17-20H2
InChIKeyLYNXUHAGKSBEKX-UHFFFAOYSA-N
XLogP7.16
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.45
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dibenzylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(dibenzylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (CID 3116819) is 1-(dibenzylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(dibenzylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(dibenzylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is OC(CN(Cc1ccccc1)Cc1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(dibenzylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The InChIKey is LYNXUHAGKSBEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N2O/c30-23-11-13-28-26(15-23)27-16-24(31)12-14-29(27)33(28)20-25(34)19-32(17-21-7-3-1-4-8-21)18-22-9-5-2-6-10-22/h1-16,25,34H,17-20H2.
What are the key properties of 1-(dibenzylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
1-(dibenzylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol has a molecular weight of 489.45 g/mol, XLogP of 7.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibenzylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 3116819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).