1-[8-[1-[4-cyclohexa-1,5-dien-1-yl-1,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-3-yl]ethenyl]-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine

C106H74N2 — CID 155333454

About 1-[8-[1-[4-cyclohexa-1,5-dien-1-yl-1,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-3-yl]ethenyl]-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine

1-[8-[1-[4-cyclohexa-1,5-dien-1-yl-1,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-3-yl]ethenyl]-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine (PubChem CID 155333454) has the molecular formula C106H74N2 and a molecular weight of 1375.77 g/mol. Its IUPAC name is 1-[8-[1-[4-cyclohexa-1,5-dien-1-yl-1,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-3-yl]ethenyl]-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine.

Molecular Properties

• Compound Name: 1-[8-[1-[4-cyclohexa-1,5-dien-1-yl-1,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-3-yl]ethenyl]-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine
• PubChem CID: 155333454
• Molecular Formula: C106H74N2
• Molecular Weight: 1375.77 g/mol
• Exact Mass: 1374.59
• IUPAC Name: 1-[8-[1-[4-cyclohexa-1,5-dien-1-yl-1,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-3-yl]ethenyl]-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine
• SMILES: C=C(C1=C(/C=C\C)N(c2ccccc2)c2ccccc2C1(C1=CCCC=C1)c1ccccc1)c1cccc2c(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccc5ccccc5c3-4)c3cccc(-c4cccc5c4C(c4ccccc4)(c4ccccc4)c4ccccc4N5c4ccccc4)c3cc12
• InChI: InChI=1S/C106H74N2/c1-3-36-97-101(104(72-38-10-4-11-39-72,73-40-12-5-13-41-73)92-62-28-30-64-95(92)107(97)76-46-18-8-19-47-76)70(2)78-53-32-55-83-88(78)69-89-80(85-57-35-66-98-103(85)105(74-42-14-6-15-43-74,75-44-16-7-17-45-75)93-63-29-31-65-96(93)108(98)77-48-20-9-21-49-77)54-33-56-84(89)99(83)86-58-34-59-87-100-79-50-23-22-37-71(79)67-68-94(100)106(102(86)87)90-60-26-24-51-81(90)82-52-25-27-61-91(82)106/h3-4,6-12,14-69H,2,5,13H2,1H3/b36-3-
• InChIKey: HEFJOOMHSUVMTR-MKNGMPSISA-N
• XLogP: 27.25
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1375.77
LogP ≤ 5	27.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[8-[1-[4-cyclohexa-1,5-dien-1-yl-1,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-3-yl]ethenyl]-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine?

The IUPAC name of 1-[8-[1-[4-cyclohexa-1,5-dien-1-yl-1,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-3-yl]ethenyl]-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine (CID 155333454) is 1-[8-[1-[4-cyclohexa-1,5-dien-1-yl-1,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-3-yl]ethenyl]-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine.

What is the SMILES notation for 1-[8-[1-[4-cyclohexa-1,5-dien-1-yl-1,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-3-yl]ethenyl]-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine?

The canonical SMILES for 1-[8-[1-[4-cyclohexa-1,5-dien-1-yl-1,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-3-yl]ethenyl]-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine is C=C(C1=C(/C=C\C)N(c2ccccc2)c2ccccc2C1(C1=CCCC=C1)c1ccccc1)c1cccc2c(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccc5ccccc5c3-4)c3cccc(-c4cccc5c4C(c4ccccc4)(c4ccccc4)c4ccccc4N5c4ccccc4)c3cc12.

What is the InChIKey of 1-[8-[1-[4-cyclohexa-1,5-dien-1-yl-1,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-3-yl]ethenyl]-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine?

The InChIKey is HEFJOOMHSUVMTR-MKNGMPSISA-N. The full InChI is InChI=1S/C106H74N2/c1-3-36-97-101(104(72-38-10-4-11-39-72,73-40-12-5-13-41-73)92-62-28-30-64-95(92)107(97)76-46-18-8-19-47-76)70(2)78-53-32-55-83-88(78)69-89-80(85-57-35-66-98-103(85)105(74-42-14-6-15-43-74,75-44-16-7-17-45-75)93-63-29-31-65-96(93)108(98)77-48-20-9-21-49-77)54-33-56-84(89)99(83)86-58-34-59-87-100-79-50-23-22-37-71(79)67-68-94(100)106(102(86)87)90-60-26-24-51-81(90)82-52-25-27-61-91(82)106/h3-4,6-12,14-69H,2,5,13H2,1H3/b36-3-.

What are the key properties of 1-[8-[1-[4-cyclohexa-1,5-dien-1-yl-1,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-3-yl]ethenyl]-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine?

1-[8-[1-[4-cyclohexa-1,5-dien-1-yl-1,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-3-yl]ethenyl]-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine has a molecular weight of 1375.77 g/mol, XLogP of 27.25, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-[1-[4-cyclohexa-1,5-dien-1-yl-1,4-diphenyl-2-[(Z)-prop-1-enyl]quinolin-3-yl]ethenyl]-10-spiro[benzo[g]fluorene-7,9'-fluorene]-8-ylanthracen-1-yl]-9,9,10-triphenylacridine is sourced from PubChem (CID 155333454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).