(E)-N-(benzo[c]carbazol-7-ylmethyl)-1-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]-1-[2-(methylideneamino)furan-3-yl]methanimine

C35H25N3OS — CID 144816293

About (E)-N-(benzo[c]carbazol-7-ylmethyl)-1-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]-1-[2-(methylideneamino)furan-3-yl]methanimine

(E)-N-(benzo[c]carbazol-7-ylmethyl)-1-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]-1-[2-(methylideneamino)furan-3-yl]methanimine (PubChem CID 144816293) has the molecular formula C35H25N3OS and a molecular weight of 535.67 g/mol. Its IUPAC name is (E)-N-(benzo[c]carbazol-7-ylmethyl)-1-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]-1-[2-(methylideneamino)furan-3-yl]methanimine.

Molecular Properties

• Compound Name: (E)-N-(benzo[c]carbazol-7-ylmethyl)-1-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]-1-[2-(methylideneamino)furan-3-yl]methanimine
• PubChem CID: 144816293
• Molecular Formula: C35H25N3OS
• Molecular Weight: 535.67 g/mol
• Exact Mass: 535.17
• IUPAC Name: (E)-N-(benzo[c]carbazol-7-ylmethyl)-1-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]-1-[2-(methylideneamino)furan-3-yl]methanimine
• SMILES: C=Cc1sc2c(/C(=N/Cn3c4ccccc4c4c5ccccc5ccc43)c3ccoc3N=C)cccc2c1C=C
• InChI: InChI=1S/C35H25N3OS/c1-4-23-25-14-10-15-27(34(25)40-31(23)5-2)33(28-19-20-39-35(28)36-3)37-21-38-29-16-9-8-13-26(29)32-24-12-7-6-11-22(24)17-18-30(32)38/h4-20H,1-3,21H2/b37-33-
• InChIKey: DCVKHDMQFVBJNH-FJSCPDHXSA-N
• XLogP: 9.87
• TPSA: 42.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.67
LogP ≤ 5	9.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-(benzo[c]carbazol-7-ylmethyl)-1-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]-1-[2-(methylideneamino)furan-3-yl]methanimine?

The IUPAC name of (E)-N-(benzo[c]carbazol-7-ylmethyl)-1-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]-1-[2-(methylideneamino)furan-3-yl]methanimine (CID 144816293) is (E)-N-(benzo[c]carbazol-7-ylmethyl)-1-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]-1-[2-(methylideneamino)furan-3-yl]methanimine.

What is the SMILES notation for (E)-N-(benzo[c]carbazol-7-ylmethyl)-1-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]-1-[2-(methylideneamino)furan-3-yl]methanimine?

The canonical SMILES for (E)-N-(benzo[c]carbazol-7-ylmethyl)-1-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]-1-[2-(methylideneamino)furan-3-yl]methanimine is C=Cc1sc2c(/C(=N/Cn3c4ccccc4c4c5ccccc5ccc43)c3ccoc3N=C)cccc2c1C=C.

What is the InChIKey of (E)-N-(benzo[c]carbazol-7-ylmethyl)-1-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]-1-[2-(methylideneamino)furan-3-yl]methanimine?

The InChIKey is DCVKHDMQFVBJNH-FJSCPDHXSA-N. The full InChI is InChI=1S/C35H25N3OS/c1-4-23-25-14-10-15-27(34(25)40-31(23)5-2)33(28-19-20-39-35(28)36-3)37-21-38-29-16-9-8-13-26(29)32-24-12-7-6-11-22(24)17-18-30(32)38/h4-20H,1-3,21H2/b37-33-.

What are the key properties of (E)-N-(benzo[c]carbazol-7-ylmethyl)-1-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]-1-[2-(methylideneamino)furan-3-yl]methanimine?

(E)-N-(benzo[c]carbazol-7-ylmethyl)-1-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]-1-[2-(methylideneamino)furan-3-yl]methanimine has a molecular weight of 535.67 g/mol, XLogP of 9.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-(benzo[c]carbazol-7-ylmethyl)-1-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]-1-[2-(methylideneamino)furan-3-yl]methanimine is sourced from PubChem (CID 144816293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).