5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine

C60H45N5 — CID 143984195

About 5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine

5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine (PubChem CID 143984195) has the molecular formula C60H45N5 and a molecular weight of 836.06 g/mol. Its IUPAC name is 5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine.

Molecular Properties

• Compound Name: 5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine
• PubChem CID: 143984195
• Molecular Formula: C60H45N5
• Molecular Weight: 836.06 g/mol
• Exact Mass: 835.37
• IUPAC Name: 5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine
• SMILES: C(=C/c1ccc(N2c3ccccc3N(c3ccccc3)c3ccccc32)cn1)\c1ccc2c(c1)C1(CCCC1)c1cc(N3c4ccccc4N(c4ccccc4)c4ccccc43)ccc1-2
• InChI: InChI=1S/C60H45N5/c1-3-17-44(18-4-1)62-52-21-7-11-25-56(52)64(57-26-12-8-22-53(57)62)46-34-36-49-48-35-30-42(39-50(48)60(51(49)40-46)37-15-16-38-60)29-31-43-32-33-47(41-61-43)65-58-27-13-9-23-54(58)63(45-19-5-2-6-20-45)55-24-10-14-28-59(55)65/h1-14,17-36,39-41H,15-16,37-38H2/b31-29+
• InChIKey: FQKRQUMFHCQYAY-OWWNRXNESA-N
• XLogP: 16.60
• TPSA: 25.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	836.06
LogP ≤ 5	16.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine?

The IUPAC name of 5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine (CID 143984195) is 5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine.

What is the SMILES notation for 5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine?

The canonical SMILES for 5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine is C(=C/c1ccc(N2c3ccccc3N(c3ccccc3)c3ccccc32)cn1)\c1ccc2c(c1)C1(CCCC1)c1cc(N3c4ccccc4N(c4ccccc4)c4ccccc43)ccc1-2.

What is the InChIKey of 5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine?

The InChIKey is FQKRQUMFHCQYAY-OWWNRXNESA-N. The full InChI is InChI=1S/C60H45N5/c1-3-17-44(18-4-1)62-52-21-7-11-25-56(52)64(57-26-12-8-22-53(57)62)46-34-36-49-48-35-30-42(39-50(48)60(51(49)40-46)37-15-16-38-60)29-31-43-32-33-47(41-61-43)65-58-27-13-9-23-54(58)63(45-19-5-2-6-20-45)55-24-10-14-28-59(55)65/h1-14,17-36,39-41H,15-16,37-38H2/b31-29+.

What are the key properties of 5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine?

5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine has a molecular weight of 836.06 g/mol, XLogP of 16.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine is sourced from PubChem (CID 143984195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).