1-carbazol-9-yl-3-(naphthalen-1-ylamino)propan-2-ol

C25H22N2O — CID 2836198

IUPAC1-carbazol-9-yl-3-(naphthalen-1-ylamino)propan-2-ol
SMILESOC(CNc1cccc2ccccc12)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C25H22N2O/c28-19(16-26-23-13-7-9-18-8-1-2-10-20(18)23)17-27-24-14-5-3-11-21(24)22-12-4-6-15-25(22)27/h1-15,19,26,28H,16-17H2
InChIKeyYIHWSRRVVHAGEH-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.42
Rot. Bonds5

About 1-carbazol-9-yl-3-(naphthalen-1-ylamino)propan-2-ol

1-carbazol-9-yl-3-(naphthalen-1-ylamino)propan-2-ol (PubChem CID 2836198) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-(naphthalen-1-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-(naphthalen-1-ylamino)propan-2-ol
PubChem CID2836198
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name1-carbazol-9-yl-3-(naphthalen-1-ylamino)propan-2-ol
SMILESOC(CNc1cccc2ccccc12)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C25H22N2O/c28-19(16-26-23-13-7-9-18-8-1-2-10-20(18)23)17-27-24-14-5-3-11-21(24)22-12-4-6-15-25(22)27/h1-15,19,26,28H,16-17H2
InChIKeyYIHWSRRVVHAGEH-UHFFFAOYSA-N
XLogP5.42
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-(naphthalen-1-ylamino)propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-(naphthalen-1-ylamino)propan-2-ol (CID 2836198) is 1-carbazol-9-yl-3-(naphthalen-1-ylamino)propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-(naphthalen-1-ylamino)propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-(naphthalen-1-ylamino)propan-2-ol is OC(CNc1cccc2ccccc12)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-(naphthalen-1-ylamino)propan-2-ol?
The InChIKey is YIHWSRRVVHAGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c28-19(16-26-23-13-7-9-18-8-1-2-10-20(18)23)17-27-24-14-5-3-11-21(24)22-12-4-6-15-25(22)27/h1-15,19,26,28H,16-17H2.
What are the key properties of 1-carbazol-9-yl-3-(naphthalen-1-ylamino)propan-2-ol?
1-carbazol-9-yl-3-(naphthalen-1-ylamino)propan-2-ol has a molecular weight of 366.46 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-(naphthalen-1-ylamino)propan-2-ol is sourced from PubChem (CID 2836198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).