4'-[5-[9-[5-(10-cyclohexa-2,4-dien-1-ylspiro[3,4-dihydroacridine-9,9'-fluorene]-4'-yl)-3-pyridinyl]fluoren-9-yl]-3-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]

C85H58N4 — CID 145320473

About 4'-[5-[9-[5-(10-cyclohexa-2,4-dien-1-ylspiro[3,4-dihydroacridine-9,9'-fluorene]-4'-yl)-3-pyridinyl]fluoren-9-yl]-3-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]

4'-[5-[9-[5-(10-cyclohexa-2,4-dien-1-ylspiro[3,4-dihydroacridine-9,9'-fluorene]-4'-yl)-3-pyridinyl]fluoren-9-yl]-3-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 145320473) has the molecular formula C85H58N4 and a molecular weight of 1135.43 g/mol. Its IUPAC name is 4'-[5-[9-[5-(10-cyclohexa-2,4-dien-1-ylspiro[3,4-dihydroacridine-9,9'-fluorene]-4'-yl)-3-pyridinyl]fluoren-9-yl]-3-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 4'-[5-[9-[5-(10-cyclohexa-2,4-dien-1-ylspiro[3,4-dihydroacridine-9,9'-fluorene]-4'-yl)-3-pyridinyl]fluoren-9-yl]-3-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]
• PubChem CID: 145320473
• Molecular Formula: C85H58N4
• Molecular Weight: 1135.43 g/mol
• Exact Mass: 1134.47
• IUPAC Name: 4'-[5-[9-[5-(10-cyclohexa-2,4-dien-1-ylspiro[3,4-dihydroacridine-9,9'-fluorene]-4'-yl)-3-pyridinyl]fluoren-9-yl]-3-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]
• SMILES: C1=CCC(N2C3=C(C=CCC3)C3(c4ccccc4-c4c(-c5cncc(C6(c7cncc(-c8cccc9c8-c8ccccc8C98c9ccccc9N(c9ccccc9)c9ccccc98)c7)c7ccccc7-c7ccccc76)c5)cccc43)c3ccccc32)C=C1
• InChI: InChI=1S/C85H58N4/c1-3-25-59(26-4-1)88-77-45-19-15-39-71(77)84(72-40-16-20-46-78(72)88)69-37-13-9-31-65(69)81-61(33-23-43-75(81)84)55-49-57(53-86-51-55)83(67-35-11-7-29-63(67)64-30-8-12-36-68(64)83)58-50-56(52-87-54-58)62-34-24-44-76-82(62)66-32-10-14-38-70(66)85(76)73-41-17-21-47-79(73)89(60-27-5-2-6-28-60)80-48-22-18-42-74(80)85/h1-21,23-27,29-47,49-54,60H,22,28,48H2
• InChIKey: CXAOREPHVWWYPO-UHFFFAOYSA-N
• XLogP: 19.94
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1135.43
LogP ≤ 5	19.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4'-[5-[9-[5-(10-cyclohexa-2,4-dien-1-ylspiro[3,4-dihydroacridine-9,9'-fluorene]-4'-yl)-3-pyridinyl]fluoren-9-yl]-3-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]?

The IUPAC name of 4'-[5-[9-[5-(10-cyclohexa-2,4-dien-1-ylspiro[3,4-dihydroacridine-9,9'-fluorene]-4'-yl)-3-pyridinyl]fluoren-9-yl]-3-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene] (CID 145320473) is 4'-[5-[9-[5-(10-cyclohexa-2,4-dien-1-ylspiro[3,4-dihydroacridine-9,9'-fluorene]-4'-yl)-3-pyridinyl]fluoren-9-yl]-3-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene].

What is the SMILES notation for 4'-[5-[9-[5-(10-cyclohexa-2,4-dien-1-ylspiro[3,4-dihydroacridine-9,9'-fluorene]-4'-yl)-3-pyridinyl]fluoren-9-yl]-3-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]?

The canonical SMILES for 4'-[5-[9-[5-(10-cyclohexa-2,4-dien-1-ylspiro[3,4-dihydroacridine-9,9'-fluorene]-4'-yl)-3-pyridinyl]fluoren-9-yl]-3-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene] is C1=CCC(N2C3=C(C=CCC3)C3(c4ccccc4-c4c(-c5cncc(C6(c7cncc(-c8cccc9c8-c8ccccc8C98c9ccccc9N(c9ccccc9)c9ccccc98)c7)c7ccccc7-c7ccccc76)c5)cccc43)c3ccccc32)C=C1.

What is the InChIKey of 4'-[5-[9-[5-(10-cyclohexa-2,4-dien-1-ylspiro[3,4-dihydroacridine-9,9'-fluorene]-4'-yl)-3-pyridinyl]fluoren-9-yl]-3-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]?

The InChIKey is CXAOREPHVWWYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H58N4/c1-3-25-59(26-4-1)88-77-45-19-15-39-71(77)84(72-40-16-20-46-78(72)88)69-37-13-9-31-65(69)81-61(33-23-43-75(81)84)55-49-57(53-86-51-55)83(67-35-11-7-29-63(67)64-30-8-12-36-68(64)83)58-50-56(52-87-54-58)62-34-24-44-76-82(62)66-32-10-14-38-70(66)85(76)73-41-17-21-47-79(73)89(60-27-5-2-6-28-60)80-48-22-18-42-74(80)85/h1-21,23-27,29-47,49-54,60H,22,28,48H2.

What are the key properties of 4'-[5-[9-[5-(10-cyclohexa-2,4-dien-1-ylspiro[3,4-dihydroacridine-9,9'-fluorene]-4'-yl)-3-pyridinyl]fluoren-9-yl]-3-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]?

4'-[5-[9-[5-(10-cyclohexa-2,4-dien-1-ylspiro[3,4-dihydroacridine-9,9'-fluorene]-4'-yl)-3-pyridinyl]fluoren-9-yl]-3-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 1135.43 g/mol, XLogP of 19.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4'-[5-[9-[5-(10-cyclohexa-2,4-dien-1-ylspiro[3,4-dihydroacridine-9,9'-fluorene]-4'-yl)-3-pyridinyl]fluoren-9-yl]-3-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 145320473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).