7,10-bis(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;7,10-bis(9,9-diphenylacridin-10-yl)-2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;10-(7-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenothiazine;10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine

C196H128N24O2S2 — CID 159539540

About 7,10-bis(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;7,10-bis(9,9-diphenylacridin-10-yl)-2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;10-(7-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenothiazine;10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine

7,10-bis(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;7,10-bis(9,9-diphenylacridin-10-yl)-2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;10-(7-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenothiazine;10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine (PubChem CID 159539540) has the molecular formula C196H128N24O2S2 and a molecular weight of 2915.48 g/mol. Its IUPAC name is 7,10-bis(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;7,10-bis(9,9-diphenylacridin-10-yl)-2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;10-(7-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenothiazine;10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine.

Molecular Properties

• Compound Name: 7,10-bis(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;7,10-bis(9,9-diphenylacridin-10-yl)-2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;10-(7-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenothiazine;10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine
• PubChem CID: 159539540
• Molecular Formula: C196H128N24O2S2
• Molecular Weight: 2915.48 g/mol
• Exact Mass: 2913.01
• IUPAC Name: 7,10-bis(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;7,10-bis(9,9-diphenylacridin-10-yl)-2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;10-(7-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenothiazine;10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine
• SMILES: CC1(C)c2ccccc2N(c2ccc3c4nccnc4c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)nc4c3n2)c2ccccc21.c1ccc(-c2nc3c4ccc(N5c6ccccc6C(c6ccccc6)(c6ccccc6)c6ccccc65)nc4c4nc(N5c6ccccc6C(c6ccccc6)(c6ccccc6)c6ccccc65)ccc4c3nc2-c2ccccc2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c3nccnc3c3ccc(N4c5ccccc5Oc5ccccc54)nc3c2n1.c1ccc2c(c1)Sc1ccccc1N2c1ccc2c3nccnc3c3ccc(N4c5ccccc5Sc5ccccc54)nc3c2n1
• InChI: InChI=1S/C76H50N6.C44H34N6.C38H22N6O2.C38H22N6S2/c1-7-27-51(28-8-1)69-70(52-29-9-2-10-30-52)80-74-58-48-50-68(82-65-45-25-21-41-61(65)76(55-35-15-5-16-36-55,56-37-17-6-18-38-56)62-42-22-26-46-66(62)82)78-72(58)71-57(73(74)79-69)47-49-67(77-71)81-63-43-23-19-39-59(63)75(53-31-11-3-12-32-53,54-33-13-4-14-34-54)60-40-20-24-44-64(60)81;1-43(2)29-13-5-9-17-33(29)49(34-18-10-6-14-30(34)43)37-23-21-27-39-40(46-26-25-45-39)28-22-24-38(48-42(28)41(27)47-37)50-35-19-11-7-15-31(35)44(3,4)32-16-8-12-20-36(32)50;2*1-5-13-29-25(9-1)43(26-10-2-6-14-30(26)45-29)33-19-17-23-35-36(40-22-21-39-35)24-18-20-34(42-38(24)37(23)41-33)44-27-11-3-7-15-31(27)46-32-16-8-4-12-28(32)44/h1-50H;5-26H,1-4H3;2*1-22H
• InChIKey: MEAHZPDFKAXSGK-UHFFFAOYSA-N
• XLogP: 49.81
• TPSA: 250.62 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2915.48
LogP ≤ 5	49.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,10-bis(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;7,10-bis(9,9-diphenylacridin-10-yl)-2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;10-(7-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenothiazine;10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine?

The IUPAC name of 7,10-bis(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;7,10-bis(9,9-diphenylacridin-10-yl)-2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;10-(7-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenothiazine;10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine (CID 159539540) is 7,10-bis(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;7,10-bis(9,9-diphenylacridin-10-yl)-2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;10-(7-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenothiazine;10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine.

What is the SMILES notation for 7,10-bis(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;7,10-bis(9,9-diphenylacridin-10-yl)-2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;10-(7-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenothiazine;10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine?

The canonical SMILES for 7,10-bis(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;7,10-bis(9,9-diphenylacridin-10-yl)-2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;10-(7-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenothiazine;10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine is CC1(C)c2ccccc2N(c2ccc3c4nccnc4c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)nc4c3n2)c2ccccc21.c1ccc(-c2nc3c4ccc(N5c6ccccc6C(c6ccccc6)(c6ccccc6)c6ccccc65)nc4c4nc(N5c6ccccc6C(c6ccccc6)(c6ccccc6)c6ccccc65)ccc4c3nc2-c2ccccc2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c3nccnc3c3ccc(N4c5ccccc5Oc5ccccc54)nc3c2n1.c1ccc2c(c1)Sc1ccccc1N2c1ccc2c3nccnc3c3ccc(N4c5ccccc5Sc5ccccc54)nc3c2n1.

What is the InChIKey of 7,10-bis(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;7,10-bis(9,9-diphenylacridin-10-yl)-2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;10-(7-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenothiazine;10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine?

The InChIKey is MEAHZPDFKAXSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N6.C44H34N6.C38H22N6O2.C38H22N6S2/c1-7-27-51(28-8-1)69-70(52-29-9-2-10-30-52)80-74-58-48-50-68(82-65-45-25-21-41-61(65)76(55-35-15-5-16-36-55,56-37-17-6-18-38-56)62-42-22-26-46-66(62)82)78-72(58)71-57(73(74)79-69)47-49-67(77-71)81-63-43-23-19-39-59(63)75(53-31-11-3-12-32-53,54-33-13-4-14-34-54)60-40-20-24-44-64(60)81;1-43(2)29-13-5-9-17-33(29)49(34-18-10-6-14-30(34)43)37-23-21-27-39-40(46-26-25-45-39)28-22-24-38(48-42(28)41(27)47-37)50-35-19-11-7-15-31(35)44(3,4)32-16-8-12-20-36(32)50;2*1-5-13-29-25(9-1)43(26-10-2-6-14-30(26)45-29)33-19-17-23-35-36(40-22-21-39-35)24-18-20-34(42-38(24)37(23)41-33)44-27-11-3-7-15-31(27)46-32-16-8-4-12-28(32)44/h1-50H;5-26H,1-4H3;2*1-22H.

What are the key properties of 7,10-bis(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;7,10-bis(9,9-diphenylacridin-10-yl)-2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;10-(7-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenothiazine;10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine?

7,10-bis(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;7,10-bis(9,9-diphenylacridin-10-yl)-2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;10-(7-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenothiazine;10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine has a molecular weight of 2915.48 g/mol, XLogP of 49.81, 14 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7,10-bis(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthroline;7,10-bis(9,9-diphenylacridin-10-yl)-2,3-diphenylpyrazino[2,3-f][1,10]phenanthroline;10-(7-phenothiazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenothiazine;10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine is sourced from PubChem (CID 159539540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).