(9-phenylcarbazol-1-yl) prop-2-enoate

C21H15NO2 — CID 175575068

IUPAC(9-phenylcarbazol-1-yl) prop-2-enoate
SMILESC=CC(=O)Oc1cccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C21H15NO2/c1-2-20(23)24-19-14-8-12-17-16-11-6-7-13-18(16)22(21(17)19)15-9-4-3-5-10-15/h2-14H,1H2
InChIKeyRZQAHQKEUMSTJY-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.88
Rot. Bonds3

About (9-phenylcarbazol-1-yl) prop-2-enoate

(9-phenylcarbazol-1-yl) prop-2-enoate (PubChem CID 175575068) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (9-phenylcarbazol-1-yl) prop-2-enoate.

Molecular Properties

Compound Name(9-phenylcarbazol-1-yl) prop-2-enoate
PubChem CID175575068
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name(9-phenylcarbazol-1-yl) prop-2-enoate
SMILESC=CC(=O)Oc1cccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C21H15NO2/c1-2-20(23)24-19-14-8-12-17-16-11-6-7-13-18(16)22(21(17)19)15-9-4-3-5-10-15/h2-14H,1H2
InChIKeyRZQAHQKEUMSTJY-UHFFFAOYSA-N
XLogP4.88
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-carbazol-9-ylphenyl) prop-2-enoate
CID 174212207
naphthalen-1-yl prop-2-enoate
CID 10192638
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
phenyl prop-2-enoate;triphenylene
CID 159225619
(2-methoxyphenyl) prop-2-enoate
CID 22987486
[3-(2-phenylethenyl)-2-prop-2-enoyloxyphenyl] prop-2-enoate
CID 174679512
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate
CID 89405419
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
benzoic acid;(2-hydroxyphenyl) prop-2-enoate
CID 174625141
1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
CID 177094947
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-1-yl)carbazole
CID 177094929

Frequently Asked Questions

What is the IUPAC name of (9-phenylcarbazol-1-yl) prop-2-enoate?
The IUPAC name of (9-phenylcarbazol-1-yl) prop-2-enoate (CID 175575068) is (9-phenylcarbazol-1-yl) prop-2-enoate.
What is the SMILES notation for (9-phenylcarbazol-1-yl) prop-2-enoate?
The canonical SMILES for (9-phenylcarbazol-1-yl) prop-2-enoate is C=CC(=O)Oc1cccc2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of (9-phenylcarbazol-1-yl) prop-2-enoate?
The InChIKey is RZQAHQKEUMSTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c1-2-20(23)24-19-14-8-12-17-16-11-6-7-13-18(16)22(21(17)19)15-9-4-3-5-10-15/h2-14H,1H2.
What are the key properties of (9-phenylcarbazol-1-yl) prop-2-enoate?
(9-phenylcarbazol-1-yl) prop-2-enoate has a molecular weight of 313.36 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-phenylcarbazol-1-yl) prop-2-enoate is sourced from PubChem (CID 175575068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).