2-[(1E)-1-[(6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-ylidene]ethyl]-4-phenyl-6-[4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine

C56H37N3O — CID 167122405

About 2-[(1E)-1-[(6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-ylidene]ethyl]-4-phenyl-6-[4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine

2-[(1E)-1-[(6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-ylidene]ethyl]-4-phenyl-6-[4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 167122405) has the molecular formula C56H37N3O and a molecular weight of 767.93 g/mol. Its IUPAC name is 2-[(1E)-1-[(6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-ylidene]ethyl]-4-phenyl-6-[4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[(1E)-1-[(6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-ylidene]ethyl]-4-phenyl-6-[4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
• PubChem CID: 167122405
• Molecular Formula: C56H37N3O
• Molecular Weight: 767.93 g/mol
• Exact Mass: 767.29
• IUPAC Name: 2-[(1E)-1-[(6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-ylidene]ethyl]-4-phenyl-6-[4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
• SMILES: C=c1cccc/c1=c1\cccc\c1=C(\C)c1nc(-c2ccccc2)nc(-c2ccc(-c3c(-c4ccccc4)ccc4oc5cc6ccccc6cc5c34)c3ccccc23)n1
• InChI: InChI=1S/C56H37N3O/c1-35-17-9-12-24-41(35)44-26-14-13-25-42(44)36(2)54-57-55(38-20-7-4-8-21-38)59-56(58-54)48-30-29-47(45-27-15-16-28-46(45)48)52-43(37-18-5-3-6-19-37)31-32-50-53(52)49-33-39-22-10-11-23-40(39)34-51(49)60-50/h3-34H,1H2,2H3/b42-36+,44-41-
• InChIKey: XIMCYPWSPSVLMF-MKZLOBMMSA-N
• XLogP: 12.66
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.93
LogP ≤ 5	12.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-1-[(6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-ylidene]ethyl]-4-phenyl-6-[4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine?

The IUPAC name of 2-[(1E)-1-[(6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-ylidene]ethyl]-4-phenyl-6-[4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine (CID 167122405) is 2-[(1E)-1-[(6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-ylidene]ethyl]-4-phenyl-6-[4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine.

What is the SMILES notation for 2-[(1E)-1-[(6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-ylidene]ethyl]-4-phenyl-6-[4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine?

The canonical SMILES for 2-[(1E)-1-[(6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-ylidene]ethyl]-4-phenyl-6-[4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine is C=c1cccc/c1=c1\cccc\c1=C(\C)c1nc(-c2ccccc2)nc(-c2ccc(-c3c(-c4ccccc4)ccc4oc5cc6ccccc6cc5c34)c3ccccc23)n1.

What is the InChIKey of 2-[(1E)-1-[(6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-ylidene]ethyl]-4-phenyl-6-[4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine?

The InChIKey is XIMCYPWSPSVLMF-MKZLOBMMSA-N. The full InChI is InChI=1S/C56H37N3O/c1-35-17-9-12-24-41(35)44-26-14-13-25-42(44)36(2)54-57-55(38-20-7-4-8-21-38)59-56(58-54)48-30-29-47(45-27-15-16-28-46(45)48)52-43(37-18-5-3-6-19-37)31-32-50-53(52)49-33-39-22-10-11-23-40(39)34-51(49)60-50/h3-34H,1H2,2H3/b42-36+,44-41-.

What are the key properties of 2-[(1E)-1-[(6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-ylidene]ethyl]-4-phenyl-6-[4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine?

2-[(1E)-1-[(6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-ylidene]ethyl]-4-phenyl-6-[4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 767.93 g/mol, XLogP of 12.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1E)-1-[(6Z)-6-(6-methylidenecyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-ylidene]ethyl]-4-phenyl-6-[4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 167122405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).