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

C148H148N8O16 — CID 158160501

IUPACethane;tetrakis(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.C=CC(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C=C)c34)ccc21.C=CC(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C=C)c34)ccc21.C=CC(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C=C)c34)ccc21.CC.CC.CC.CC.CC.CC
InChIInChI=1S/4C34H28N2O4.6C2H6/c4*1-3-32(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;6*1-2/h4*3-17,22H,1-2,18-21H2;6*1-2H3
InChIKeyFWFDQQZPXFIURL-UHFFFAOYSA-N
MW2294.85 g/mol
LogP34.27
Rot. Bonds36

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

ethane;tetrakis(2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate) (PubChem CID 158160501) has the molecular formula C148H148N8O16 and a molecular weight of 2294.85 g/mol. Its IUPAC name is ethane;tetrakis(2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate).

Molecular Properties

Compound Nameethane;tetrakis(2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate)
PubChem CID158160501
Molecular FormulaC148H148N8O16
Molecular Weight2294.85 g/mol
Exact Mass2293.10
IUPAC Nameethane;tetrakis(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.C=CC(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C=C)c34)ccc21.C=CC(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C=C)c34)ccc21.C=CC(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C=C)c34)ccc21.CC.CC.CC.CC.CC.CC
InChIInChI=1S/4C34H28N2O4.6C2H6/c4*1-3-32(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;6*1-2/h4*3-17,22H,1-2,18-21H2;6*1-2H3
InChIKeyFWFDQQZPXFIURL-UHFFFAOYSA-N
XLogP34.27
TPSA249.84 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002294.85
LogP ≤ 534.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;tetrakis(2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate)?
The IUPAC name of ethane;tetrakis(2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate) (CID 158160501) is ethane;tetrakis(2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate).
What is the SMILES notation for ethane;tetrakis(2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate)?
The canonical SMILES for ethane;tetrakis(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.C=CC(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C=C)c34)ccc21.C=CC(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C=C)c34)ccc21.C=CC(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C=C)c34)ccc21.CC.CC.CC.CC.CC.CC.
What is the InChIKey of ethane;tetrakis(2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate)?
The InChIKey is FWFDQQZPXFIURL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C34H28N2O4.6C2H6/c4*1-3-32(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;6*1-2/h4*3-17,22H,1-2,18-21H2;6*1-2H3.
What are the key properties of ethane;tetrakis(2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate)?
ethane;tetrakis(2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate) has a molecular weight of 2294.85 g/mol, XLogP of 34.27, 36 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tetrakis(2-[3-[9-(2-prop-2-enoyloxyethyl)carbazol-1-yl]carbazol-9-yl]ethyl prop-2-enoate) is sourced from PubChem (CID 158160501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).