ethane;(2E,3E)-2-ethylidene-1,4-diphenyl-5,6-bis[(Z)-prop-1-enyl]-3-prop-2-enylidenepyrazine;3-methyl-9-phenylcarbazole

C48H49N3 — CID 142288278

About ethane;(2E,3E)-2-ethylidene-1,4-diphenyl-5,6-bis[(Z)-prop-1-enyl]-3-prop-2-enylidenepyrazine;3-methyl-9-phenylcarbazole

ethane;(2E,3E)-2-ethylidene-1,4-diphenyl-5,6-bis[(Z)-prop-1-enyl]-3-prop-2-enylidenepyrazine;3-methyl-9-phenylcarbazole (PubChem CID 142288278) has the molecular formula C48H49N3 and a molecular weight of 667.94 g/mol. Its IUPAC name is ethane;(2E,3E)-2-ethylidene-1,4-diphenyl-5,6-bis[(Z)-prop-1-enyl]-3-prop-2-enylidenepyrazine;3-methyl-9-phenylcarbazole.

Molecular Properties

• Compound Name: ethane;(2E,3E)-2-ethylidene-1,4-diphenyl-5,6-bis[(Z)-prop-1-enyl]-3-prop-2-enylidenepyrazine;3-methyl-9-phenylcarbazole
• PubChem CID: 142288278
• Molecular Formula: C48H49N3
• Molecular Weight: 667.94 g/mol
• Exact Mass: 667.39
• IUPAC Name: ethane;(2E,3E)-2-ethylidene-1,4-diphenyl-5,6-bis[(Z)-prop-1-enyl]-3-prop-2-enylidenepyrazine;3-methyl-9-phenylcarbazole
• SMILES: C=C/C=C1C(=C/C)\N(c2ccccc2)C(/C=C\C)=C(/C=C\C)N\1c1ccccc1.CC.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1
• InChI: InChI=1S/C27H28N2.C19H15N.C2H6/c1-5-15-25-24(8-4)28(22-18-11-9-12-19-22)26(16-6-2)27(17-7-3)29(25)23-20-13-10-14-21-23;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-2/h5-21H,1H2,2-4H3;2-13H,1H3;1-2H3/b16-6-,17-7-,24-8+,25-15+
• InChIKey: XNDJYFDAHWSCBX-ADDYBIDDSA-N
• XLogP: 13.47
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.94
LogP ≤ 5	13.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,3E)-2-ethylidene-1,4-diphenyl-5,6-bis[(Z)-prop-1-enyl]-3-prop-2-enylidenepyrazine;3-methyl-9-phenylcarbazole?

The IUPAC name of ethane;(2E,3E)-2-ethylidene-1,4-diphenyl-5,6-bis[(Z)-prop-1-enyl]-3-prop-2-enylidenepyrazine;3-methyl-9-phenylcarbazole (CID 142288278) is ethane;(2E,3E)-2-ethylidene-1,4-diphenyl-5,6-bis[(Z)-prop-1-enyl]-3-prop-2-enylidenepyrazine;3-methyl-9-phenylcarbazole.

What is the SMILES notation for ethane;(2E,3E)-2-ethylidene-1,4-diphenyl-5,6-bis[(Z)-prop-1-enyl]-3-prop-2-enylidenepyrazine;3-methyl-9-phenylcarbazole?

The canonical SMILES for ethane;(2E,3E)-2-ethylidene-1,4-diphenyl-5,6-bis[(Z)-prop-1-enyl]-3-prop-2-enylidenepyrazine;3-methyl-9-phenylcarbazole is C=C/C=C1C(=C/C)\N(c2ccccc2)C(/C=C\C)=C(/C=C\C)N\1c1ccccc1.CC.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.

What is the InChIKey of ethane;(2E,3E)-2-ethylidene-1,4-diphenyl-5,6-bis[(Z)-prop-1-enyl]-3-prop-2-enylidenepyrazine;3-methyl-9-phenylcarbazole?

The InChIKey is XNDJYFDAHWSCBX-ADDYBIDDSA-N. The full InChI is InChI=1S/C27H28N2.C19H15N.C2H6/c1-5-15-25-24(8-4)28(22-18-11-9-12-19-22)26(16-6-2)27(17-7-3)29(25)23-20-13-10-14-21-23;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-2/h5-21H,1H2,2-4H3;2-13H,1H3;1-2H3/b16-6-,17-7-,24-8+,25-15+;;.

What are the key properties of ethane;(2E,3E)-2-ethylidene-1,4-diphenyl-5,6-bis[(Z)-prop-1-enyl]-3-prop-2-enylidenepyrazine;3-methyl-9-phenylcarbazole?

ethane;(2E,3E)-2-ethylidene-1,4-diphenyl-5,6-bis[(Z)-prop-1-enyl]-3-prop-2-enylidenepyrazine;3-methyl-9-phenylcarbazole has a molecular weight of 667.94 g/mol, XLogP of 13.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(2E,3E)-2-ethylidene-1,4-diphenyl-5,6-bis[(Z)-prop-1-enyl]-3-prop-2-enylidenepyrazine;3-methyl-9-phenylcarbazole is sourced from PubChem (CID 142288278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).