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

C156H164N8O16 — CID 157294115

IUPACethane;tetrakis(2-[3-[9-[2-(2-methylprop-2-enoyloxy)ethyl]carbazol-1-yl]carbazol-9-yl]ethyl 2-methylprop-2-enoate)
SMILESC=C(C)C(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C(=C)C)c34)ccc21.C=C(C)C(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C(=C)C)c34)ccc21.C=C(C)C(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C(=C)C)c34)ccc21.C=C(C)C(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C(=C)C)c34)ccc21.CC.CC.CC.CC.CC.CC
InChIInChI=1S/4C36H32N2O4.6C2H6/c4*1-23(2)35(39)41-20-18-37-31-14-7-6-11-28(31)30-22-25(16-17-33(30)37)26-12-9-13-29-27-10-5-8-15-32(27)38(34(26)29)19-21-42-36(40)24(3)4;6*1-2/h4*5-17,22H,1,3,18-21H2,2,4H3;6*1-2H3
InChIKeyBBDHJEXYHGLLGF-UHFFFAOYSA-N
MW2407.07 g/mol
LogP37.39
Rot. Bonds36

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

ethane;tetrakis(2-[3-[9-[2-(2-methylprop-2-enoyloxy)ethyl]carbazol-1-yl]carbazol-9-yl]ethyl 2-methylprop-2-enoate) (PubChem CID 157294115) has the molecular formula C156H164N8O16 and a molecular weight of 2407.07 g/mol. Its IUPAC name is ethane;tetrakis(2-[3-[9-[2-(2-methylprop-2-enoyloxy)ethyl]carbazol-1-yl]carbazol-9-yl]ethyl 2-methylprop-2-enoate).

Molecular Properties

Compound Nameethane;tetrakis(2-[3-[9-[2-(2-methylprop-2-enoyloxy)ethyl]carbazol-1-yl]carbazol-9-yl]ethyl 2-methylprop-2-enoate)
PubChem CID157294115
Molecular FormulaC156H164N8O16
Molecular Weight2407.07 g/mol
Exact Mass2405.23
IUPAC Nameethane;tetrakis(2-[3-[9-[2-(2-methylprop-2-enoyloxy)ethyl]carbazol-1-yl]carbazol-9-yl]ethyl 2-methylprop-2-enoate)
SMILESC=C(C)C(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C(=C)C)c34)ccc21.C=C(C)C(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C(=C)C)c34)ccc21.C=C(C)C(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C(=C)C)c34)ccc21.C=C(C)C(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C(=C)C)c34)ccc21.CC.CC.CC.CC.CC.CC
InChIInChI=1S/4C36H32N2O4.6C2H6/c4*1-23(2)35(39)41-20-18-37-31-14-7-6-11-28(31)30-22-25(16-17-33(30)37)26-12-9-13-29-27-10-5-8-15-32(27)38(34(26)29)19-21-42-36(40)24(3)4;6*1-2/h4*5-17,22H,1,3,18-21H2,2,4H3;6*1-2H3
InChIKeyBBDHJEXYHGLLGF-UHFFFAOYSA-N
XLogP37.39
TPSA249.84 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002407.07
LogP ≤ 537.39
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-(2-methylprop-2-enoyloxy)ethyl]carbazol-1-yl]carbazol-9-yl]ethyl 2-methylprop-2-enoate)?
The IUPAC name of ethane;tetrakis(2-[3-[9-[2-(2-methylprop-2-enoyloxy)ethyl]carbazol-1-yl]carbazol-9-yl]ethyl 2-methylprop-2-enoate) (CID 157294115) is ethane;tetrakis(2-[3-[9-[2-(2-methylprop-2-enoyloxy)ethyl]carbazol-1-yl]carbazol-9-yl]ethyl 2-methylprop-2-enoate).
What is the SMILES notation for ethane;tetrakis(2-[3-[9-[2-(2-methylprop-2-enoyloxy)ethyl]carbazol-1-yl]carbazol-9-yl]ethyl 2-methylprop-2-enoate)?
The canonical SMILES for ethane;tetrakis(2-[3-[9-[2-(2-methylprop-2-enoyloxy)ethyl]carbazol-1-yl]carbazol-9-yl]ethyl 2-methylprop-2-enoate) is C=C(C)C(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C(=C)C)c34)ccc21.C=C(C)C(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C(=C)C)c34)ccc21.C=C(C)C(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C(=C)C)c34)ccc21.C=C(C)C(=O)OCCn1c2ccccc2c2cc(-c3cccc4c5ccccc5n(CCOC(=O)C(=C)C)c34)ccc21.CC.CC.CC.CC.CC.CC.
What is the InChIKey of ethane;tetrakis(2-[3-[9-[2-(2-methylprop-2-enoyloxy)ethyl]carbazol-1-yl]carbazol-9-yl]ethyl 2-methylprop-2-enoate)?
The InChIKey is BBDHJEXYHGLLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C36H32N2O4.6C2H6/c4*1-23(2)35(39)41-20-18-37-31-14-7-6-11-28(31)30-22-25(16-17-33(30)37)26-12-9-13-29-27-10-5-8-15-32(27)38(34(26)29)19-21-42-36(40)24(3)4;6*1-2/h4*5-17,22H,1,3,18-21H2,2,4H3;6*1-2H3.
What are the key properties of ethane;tetrakis(2-[3-[9-[2-(2-methylprop-2-enoyloxy)ethyl]carbazol-1-yl]carbazol-9-yl]ethyl 2-methylprop-2-enoate)?
ethane;tetrakis(2-[3-[9-[2-(2-methylprop-2-enoyloxy)ethyl]carbazol-1-yl]carbazol-9-yl]ethyl 2-methylprop-2-enoate) has a molecular weight of 2407.07 g/mol, XLogP of 37.39, 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-(2-methylprop-2-enoyloxy)ethyl]carbazol-1-yl]carbazol-9-yl]ethyl 2-methylprop-2-enoate) is sourced from PubChem (CID 157294115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).