N-benzyl-1-phenylethanimine;N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[6-[6-[4-methyl-3-[6-methyl-2-[1-(methylideneamino)ethenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluoren-3-yl]-9-phenylcarbazol-4-yl]ethanimine;ethane;toluene

C90H82N4 — CID 144956022

About N-benzyl-1-phenylethanimine;N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[6-[6-[4-methyl-3-[6-methyl-2-[1-(methylideneamino)ethenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluoren-3-yl]-9-phenylcarbazol-4-yl]ethanimine;ethane;toluene

N-benzyl-1-phenylethanimine;N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[6-[6-[4-methyl-3-[6-methyl-2-[1-(methylideneamino)ethenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluoren-3-yl]-9-phenylcarbazol-4-yl]ethanimine;ethane;toluene (PubChem CID 144956022) has the molecular formula C90H82N4 and a molecular weight of 1219.67 g/mol. Its IUPAC name is N-benzyl-1-phenylethanimine;N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[6-[6-[4-methyl-3-[6-methyl-2-[1-(methylideneamino)ethenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluoren-3-yl]-9-phenylcarbazol-4-yl]ethanimine;ethane;toluene.

Molecular Properties

• Compound Name: N-benzyl-1-phenylethanimine;N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[6-[6-[4-methyl-3-[6-methyl-2-[1-(methylideneamino)ethenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluoren-3-yl]-9-phenylcarbazol-4-yl]ethanimine;ethane;toluene
• PubChem CID: 144956022
• Molecular Formula: C90H82N4
• Molecular Weight: 1219.67 g/mol
• Exact Mass: 1218.65
• IUPAC Name: N-benzyl-1-phenylethanimine;N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[6-[6-[4-methyl-3-[6-methyl-2-[1-(methylideneamino)ethenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluoren-3-yl]-9-phenylcarbazol-4-yl]ethanimine;ethane;toluene
• SMILES: C/C(=N\Cc1ccccc1)c1ccccc1.C=NC(=C)C1=C(c2cc(-c3ccc4c(c3)-c3cc(-c5ccc6c(c5)c5c(/C(C)=N/C(=C\C(=C)c7ccccc7)c7ccccc7)cccc5n6-c5ccccc5)ccc3C4)ccc2C)C(C)=CCC1.CC.Cc1ccccc1
• InChI: InChI=1S/C66H53N3.C15H15N.C7H8.C2H6/c1-42-28-29-49(38-58(42)65-43(2)18-16-25-56(65)45(4)67-6)50-30-32-53-37-54-33-31-51(40-60(54)59(53)39-50)52-34-35-63-61(41-52)66-57(26-17-27-64(66)69(63)55-23-14-9-15-24-55)46(5)68-62(48-21-12-8-13-22-48)36-44(3)47-19-10-7-11-20-47;1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14;1-7-5-3-2-4-6-7;1-2/h7-15,17-24,26-36,38-41H,3-4,6,16,25,37H2,1-2,5H3;2-11H,12H2,1H3;2-6H,1H3;1-2H3/b62-36-,68-46+;16-13+
• InChIKey: FEFHTZCDECHSNR-XVYDVAESSA-N
• XLogP: 23.99
• TPSA: 42.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1219.67
LogP ≤ 5	23.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylethanimine;N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[6-[6-[4-methyl-3-[6-methyl-2-[1-(methylideneamino)ethenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluoren-3-yl]-9-phenylcarbazol-4-yl]ethanimine;ethane;toluene?

The IUPAC name of N-benzyl-1-phenylethanimine;N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[6-[6-[4-methyl-3-[6-methyl-2-[1-(methylideneamino)ethenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluoren-3-yl]-9-phenylcarbazol-4-yl]ethanimine;ethane;toluene (CID 144956022) is N-benzyl-1-phenylethanimine;N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[6-[6-[4-methyl-3-[6-methyl-2-[1-(methylideneamino)ethenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluoren-3-yl]-9-phenylcarbazol-4-yl]ethanimine;ethane;toluene.

What is the SMILES notation for N-benzyl-1-phenylethanimine;N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[6-[6-[4-methyl-3-[6-methyl-2-[1-(methylideneamino)ethenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluoren-3-yl]-9-phenylcarbazol-4-yl]ethanimine;ethane;toluene?

The canonical SMILES for N-benzyl-1-phenylethanimine;N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[6-[6-[4-methyl-3-[6-methyl-2-[1-(methylideneamino)ethenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluoren-3-yl]-9-phenylcarbazol-4-yl]ethanimine;ethane;toluene is C/C(=N\Cc1ccccc1)c1ccccc1.C=NC(=C)C1=C(c2cc(-c3ccc4c(c3)-c3cc(-c5ccc6c(c5)c5c(/C(C)=N/C(=C\C(=C)c7ccccc7)c7ccccc7)cccc5n6-c5ccccc5)ccc3C4)ccc2C)C(C)=CCC1.CC.Cc1ccccc1.

What is the InChIKey of N-benzyl-1-phenylethanimine;N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[6-[6-[4-methyl-3-[6-methyl-2-[1-(methylideneamino)ethenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluoren-3-yl]-9-phenylcarbazol-4-yl]ethanimine;ethane;toluene?

The InChIKey is FEFHTZCDECHSNR-XVYDVAESSA-N. The full InChI is InChI=1S/C66H53N3.C15H15N.C7H8.C2H6/c1-42-28-29-49(38-58(42)65-43(2)18-16-25-56(65)45(4)67-6)50-30-32-53-37-54-33-31-51(40-60(54)59(53)39-50)52-34-35-63-61(41-52)66-57(26-17-27-64(66)69(63)55-23-14-9-15-24-55)46(5)68-62(48-21-12-8-13-22-48)36-44(3)47-19-10-7-11-20-47;1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14;1-7-5-3-2-4-6-7;1-2/h7-15,17-24,26-36,38-41H,3-4,6,16,25,37H2,1-2,5H3;2-11H,12H2,1H3;2-6H,1H3;1-2H3/b62-36-,68-46+;16-13+;;.

What are the key properties of N-benzyl-1-phenylethanimine;N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[6-[6-[4-methyl-3-[6-methyl-2-[1-(methylideneamino)ethenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluoren-3-yl]-9-phenylcarbazol-4-yl]ethanimine;ethane;toluene?

N-benzyl-1-phenylethanimine;N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[6-[6-[4-methyl-3-[6-methyl-2-[1-(methylideneamino)ethenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluoren-3-yl]-9-phenylcarbazol-4-yl]ethanimine;ethane;toluene has a molecular weight of 1219.67 g/mol, XLogP of 23.99, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1-phenylethanimine;N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-1-[6-[6-[4-methyl-3-[6-methyl-2-[1-(methylideneamino)ethenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9H-fluoren-3-yl]-9-phenylcarbazol-4-yl]ethanimine;ethane;toluene is sourced from PubChem (CID 144956022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).