ethane;2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate

C38H40N2O4 — CID 157476790

IUPACethane;2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C=C)c34)ccc21.CC.CC
InChIInChI=1S/C34H28N2O4.2C2H6/c1-3-32(37)39-20-18-35-29-14-7-6-11-26(29)28-22-23(16-17-31(28)35)24-12-9-13-27-25-10-5-8-15-30(25)36(34(24)27)19-21-40-33(38)4-2;2*1-2/h3-17,22H,1-2,18-21H2;2*1-2H3
InChIKeyBVRLTHLEQDUVDA-UHFFFAOYSA-N
MW588.75 g/mol
LogP9.08
Rot. Bonds9

About ethane;2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate

ethane;2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate (PubChem CID 157476790) has the molecular formula C38H40N2O4 and a molecular weight of 588.75 g/mol. Its IUPAC name is ethane;2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate.

Molecular Properties

Compound Nameethane;2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate
PubChem CID157476790
Molecular FormulaC38H40N2O4
Molecular Weight588.75 g/mol
Exact Mass588.30
IUPAC Nameethane;2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C=C)c34)ccc21.CC.CC
InChIInChI=1S/C34H28N2O4.2C2H6/c1-3-32(37)39-20-18-35-29-14-7-6-11-26(29)28-22-23(16-17-31(28)35)24-12-9-13-27-25-10-5-8-15-30(25)36(34(24)27)19-21-40-33(38)4-2;2*1-2/h3-17,22H,1-2,18-21H2;2*1-2H3
InChIKeyBVRLTHLEQDUVDA-UHFFFAOYSA-N
XLogP9.08
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate?
The IUPAC name of ethane;2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate (CID 157476790) is ethane;2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate.
What is the SMILES notation for ethane;2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate?
The canonical SMILES for ethane;2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate is C=CC(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C=C)c34)ccc21.CC.CC.
What is the InChIKey of ethane;2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate?
The InChIKey is BVRLTHLEQDUVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O4.2C2H6/c1-3-32(37)39-20-18-35-29-14-7-6-11-26(29)28-22-23(16-17-31(28)35)24-12-9-13-27-25-10-5-8-15-30(25)36(34(24)27)19-21-40-33(38)4-2;2*1-2/h3-17,22H,1-2,18-21H2;2*1-2H3.
What are the key properties of ethane;2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate?
ethane;2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate has a molecular weight of 588.75 g/mol, XLogP of 9.08, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate is sourced from PubChem (CID 157476790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).