bis(acridine);tetrakis(2-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;tris(2,3,5,6-tetramethylpyrazine)

C90H96N10O8 — CID 139049924

About bis(acridine);tetrakis(2-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;tris(2,3,5,6-tetramethylpyrazine)

bis(acridine);tetrakis(2-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;tris(2,3,5,6-tetramethylpyrazine) (PubChem CID 139049924) has the molecular formula C90H96N10O8 and a molecular weight of 1445.82 g/mol. Its IUPAC name is bis(acridine);tetrakis(2-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;tris(2,3,5,6-tetramethylpyrazine).

Molecular Properties

• Compound Name: bis(acridine);tetrakis(2-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;tris(2,3,5,6-tetramethylpyrazine)
• PubChem CID: 139049924
• Molecular Formula: C90H96N10O8
• Molecular Weight: 1445.82 g/mol
• Exact Mass: 1444.74
• IUPAC Name: bis(acridine);tetrakis(2-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;tris(2,3,5,6-tetramethylpyrazine)
• SMILES: C(=C/c1ccncc1)\c1ccncc1.Cc1c(O)cccc1O.Cc1c(O)cccc1O.Cc1c(O)cccc1O.Cc1c(O)cccc1O.Cc1nc(C)c(C)nc1C.Cc1nc(C)c(C)nc1C.Cc1nc(C)c(C)nc1C.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3cc2c1
• InChI: InChI=1S/2C13H9N.C12H10N2.3C8H12N2.4C7H8O2/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;3*1-5-6(2)10-8(4)7(3)9-5;4*1-5-6(8)3-2-4-7(5)9/h2*1-9H;1-10H;3*1-4H3;4*2-4,8-9H,1H3/b;;2-1+
• InChIKey: PJAIDNWREKARKV-XJQBWUJJSA-N
• XLogP: 20.18
• TPSA: 290.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 2
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1445.82
LogP ≤ 5	20.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(acridine);tetrakis(2-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;tris(2,3,5,6-tetramethylpyrazine)?

The IUPAC name of bis(acridine);tetrakis(2-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;tris(2,3,5,6-tetramethylpyrazine) (CID 139049924) is bis(acridine);tetrakis(2-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;tris(2,3,5,6-tetramethylpyrazine).

What is the SMILES notation for bis(acridine);tetrakis(2-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;tris(2,3,5,6-tetramethylpyrazine)?

The canonical SMILES for bis(acridine);tetrakis(2-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;tris(2,3,5,6-tetramethylpyrazine) is C(=C/c1ccncc1)\c1ccncc1.Cc1c(O)cccc1O.Cc1c(O)cccc1O.Cc1c(O)cccc1O.Cc1c(O)cccc1O.Cc1nc(C)c(C)nc1C.Cc1nc(C)c(C)nc1C.Cc1nc(C)c(C)nc1C.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3cc2c1.

What is the InChIKey of bis(acridine);tetrakis(2-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;tris(2,3,5,6-tetramethylpyrazine)?

The InChIKey is PJAIDNWREKARKV-XJQBWUJJSA-N. The full InChI is InChI=1S/2C13H9N.C12H10N2.3C8H12N2.4C7H8O2/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;3*1-5-6(2)10-8(4)7(3)9-5;4*1-5-6(8)3-2-4-7(5)9/h2*1-9H;1-10H;3*1-4H3;4*2-4,8-9H,1H3/b;;2-1+;;;;;;;.

What are the key properties of bis(acridine);tetrakis(2-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;tris(2,3,5,6-tetramethylpyrazine)?

bis(acridine);tetrakis(2-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;tris(2,3,5,6-tetramethylpyrazine) has a molecular weight of 1445.82 g/mol, XLogP of 20.18, 2 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(acridine);tetrakis(2-methylbenzene-1,3-diol);4-[(E)-2-pyridin-4-ylethenyl]pyridine;tris(2,3,5,6-tetramethylpyrazine) is sourced from PubChem (CID 139049924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).