11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline;10-[6-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-3-fluoro-2-isocyanopyrazino[2,3-f][1,10]phenanthrolin-10-yl]-1,2-dihydrophenoxazine;10-[6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenothiazine;N,N-diphenyl-9-[6-[3-(N-phenylanilino)carbazol-9-yl]pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-amine

C195H146FN27OS — CID 157095068

About 11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline;10-[6-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-3-fluoro-2-isocyanopyrazino[2,3-f][1,10]phenanthrolin-10-yl]-1,2-dihydrophenoxazine;10-[6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenothiazine;N,N-diphenyl-9-[6-[3-(N-phenylanilino)carbazol-9-yl]pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-amine

11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline;10-[6-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-3-fluoro-2-isocyanopyrazino[2,3-f][1,10]phenanthrolin-10-yl]-1,2-dihydrophenoxazine;10-[6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenothiazine;N,N-diphenyl-9-[6-[3-(N-phenylanilino)carbazol-9-yl]pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-amine (PubChem CID 157095068) has the molecular formula C195H146FN27OS and a molecular weight of 2934.57 g/mol. Its IUPAC name is 11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline;10-[6-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-3-fluoro-2-isocyanopyrazino[2,3-f][1,10]phenanthrolin-10-yl]-1,2-dihydrophenoxazine;10-[6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenothiazine;N,N-diphenyl-9-[6-[3-(N-phenylanilino)carbazol-9-yl]pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-amine.

Molecular Properties

• Compound Name: 11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline;10-[6-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-3-fluoro-2-isocyanopyrazino[2,3-f][1,10]phenanthrolin-10-yl]-1,2-dihydrophenoxazine;10-[6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenothiazine;N,N-diphenyl-9-[6-[3-(N-phenylanilino)carbazol-9-yl]pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-amine
• PubChem CID: 157095068
• Molecular Formula: C195H146FN27OS
• Molecular Weight: 2934.57 g/mol
• Exact Mass: 2932.19
• IUPAC Name: 11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline;10-[6-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-3-fluoro-2-isocyanopyrazino[2,3-f][1,10]phenanthrolin-10-yl]-1,2-dihydrophenoxazine;10-[6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenothiazine;N,N-diphenyl-9-[6-[3-(N-phenylanilino)carbazol-9-yl]pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-amine
• SMILES: CC1(C)c2ccccc2N(c2cnc3c(c2)c2nccnc2c2ccc(N4c5ccccc5Sc5ccccc54)nc23)c2ccccc21.CCCc1nc2c3cc(N4c5ccccc5C(C)(C)c5ccccc54)cnc3c3ncc(N4c5ccccc5C(C)(C)C5C=CC=CC54)cc3c2nc1CCC.[C-]#[N+]c1nc2c3ccc(N4C5=C(C=CCC5)Oc5ccccc54)nc3c3ncc(N4c5ccccc5C(C)(C)C5C=CC=CC54)cc3c2nc1F.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cnc3c(c2)c2nccnc2c2cc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cnc23)cc1
• InChI: InChI=1S/C62H40N8.C50H48N6.C42H30FN7O.C41H28N6S/c1-5-17-41(18-6-1)67(42-19-7-2-8-20-42)45-29-31-57-51(35-45)49-25-13-15-27-55(49)69(57)47-37-53-59-60(64-34-33-63-59)54-38-48(40-66-62(54)61(53)65-39-47)70-56-28-16-14-26-50(56)52-36-46(30-32-58(52)70)68(43-21-9-3-10-22-43)44-23-11-4-12-24-44;1-7-17-39-40(18-8-2)54-48-34-28-32(56-43-25-15-11-21-37(43)50(5,6)38-22-12-16-26-44(38)56)30-52-46(34)45-33(47(48)53-39)27-31(29-51-45)55-41-23-13-9-19-35(41)49(3,4)36-20-10-14-24-42(36)55;1-42(2)27-12-4-6-14-29(27)49(30-15-7-5-13-28(30)42)24-22-26-36(45-23-24)37-25(38-39(26)47-40(43)41(44-3)48-38)20-21-35(46-37)50-31-16-8-10-18-33(31)51-34-19-11-9-17-32(34)50;1-41(2)28-11-3-5-13-30(28)46(31-14-6-4-12-29(31)41)25-23-27-38-37(42-21-22-43-38)26-19-20-36(45-40(26)39(27)44-24-25)47-32-15-7-9-17-34(32)48-35-18-10-8-16-33(35)47/h1-40H;9-16,19-30,35,41H,7-8,17-18H2,1-6H3;4-8,10-16,18-23,27,29H,9,17H2,1-2H3;3-24H,1-2H3
• InChIKey: AFCORDAJBGJUAP-UHFFFAOYSA-N
• XLogP: 48.96
• TPSA: 255.61 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2934.57
LogP ≤ 5	48.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline;10-[6-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-3-fluoro-2-isocyanopyrazino[2,3-f][1,10]phenanthrolin-10-yl]-1,2-dihydrophenoxazine;10-[6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenothiazine;N,N-diphenyl-9-[6-[3-(N-phenylanilino)carbazol-9-yl]pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-amine?

The IUPAC name of 11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline;10-[6-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-3-fluoro-2-isocyanopyrazino[2,3-f][1,10]phenanthrolin-10-yl]-1,2-dihydrophenoxazine;10-[6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenothiazine;N,N-diphenyl-9-[6-[3-(N-phenylanilino)carbazol-9-yl]pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-amine (CID 157095068) is 11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline;10-[6-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-3-fluoro-2-isocyanopyrazino[2,3-f][1,10]phenanthrolin-10-yl]-1,2-dihydrophenoxazine;10-[6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenothiazine;N,N-diphenyl-9-[6-[3-(N-phenylanilino)carbazol-9-yl]pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-amine.

What is the SMILES notation for 11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline;10-[6-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-3-fluoro-2-isocyanopyrazino[2,3-f][1,10]phenanthrolin-10-yl]-1,2-dihydrophenoxazine;10-[6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenothiazine;N,N-diphenyl-9-[6-[3-(N-phenylanilino)carbazol-9-yl]pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-amine?

The canonical SMILES for 11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline;10-[6-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-3-fluoro-2-isocyanopyrazino[2,3-f][1,10]phenanthrolin-10-yl]-1,2-dihydrophenoxazine;10-[6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenothiazine;N,N-diphenyl-9-[6-[3-(N-phenylanilino)carbazol-9-yl]pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-amine is CC1(C)c2ccccc2N(c2cnc3c(c2)c2nccnc2c2ccc(N4c5ccccc5Sc5ccccc54)nc23)c2ccccc21.CCCc1nc2c3cc(N4c5ccccc5C(C)(C)c5ccccc54)cnc3c3ncc(N4c5ccccc5C(C)(C)C5C=CC=CC54)cc3c2nc1CCC.[C-]#[N+]c1nc2c3ccc(N4C5=C(C=CCC5)Oc5ccccc54)nc3c3ncc(N4c5ccccc5C(C)(C)C5C=CC=CC54)cc3c2nc1F.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cnc3c(c2)c2nccnc2c2cc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cnc23)cc1.

What is the InChIKey of 11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline;10-[6-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-3-fluoro-2-isocyanopyrazino[2,3-f][1,10]phenanthrolin-10-yl]-1,2-dihydrophenoxazine;10-[6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenothiazine;N,N-diphenyl-9-[6-[3-(N-phenylanilino)carbazol-9-yl]pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-amine?

The InChIKey is AFCORDAJBGJUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N8.C50H48N6.C42H30FN7O.C41H28N6S/c1-5-17-41(18-6-1)67(42-19-7-2-8-20-42)45-29-31-57-51(35-45)49-25-13-15-27-55(49)69(57)47-37-53-59-60(64-34-33-63-59)54-38-48(40-66-62(54)61(53)65-39-47)70-56-28-16-14-26-50(56)52-36-46(30-32-58(52)70)68(43-21-9-3-10-22-43)44-23-11-4-12-24-44;1-7-17-39-40(18-8-2)54-48-34-28-32(56-43-25-15-11-21-37(43)50(5,6)38-22-12-16-26-44(38)56)30-52-46(34)45-33(47(48)53-39)27-31(29-51-45)55-41-23-13-9-19-35(41)49(3,4)36-20-10-14-24-42(36)55;1-42(2)27-12-4-6-14-29(27)49(30-15-7-5-13-28(30)42)24-22-26-36(45-23-24)37-25(38-39(26)47-40(43)41(44-3)48-38)20-21-35(46-37)50-31-16-8-10-18-33(31)51-34-19-11-9-17-32(34)50;1-41(2)28-11-3-5-13-30(28)46(31-14-6-4-12-29(31)41)25-23-27-38-37(42-21-22-43-38)26-19-20-36(45-40(26)39(27)44-24-25)47-32-15-7-9-17-34(32)48-35-18-10-8-16-33(35)47/h1-40H;9-16,19-30,35,41H,7-8,17-18H2,1-6H3;4-8,10-16,18-23,27,29H,9,17H2,1-2H3;3-24H,1-2H3.

What are the key properties of 11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline;10-[6-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-3-fluoro-2-isocyanopyrazino[2,3-f][1,10]phenanthrolin-10-yl]-1,2-dihydrophenoxazine;10-[6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenothiazine;N,N-diphenyl-9-[6-[3-(N-phenylanilino)carbazol-9-yl]pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-amine?

11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline;10-[6-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-3-fluoro-2-isocyanopyrazino[2,3-f][1,10]phenanthrolin-10-yl]-1,2-dihydrophenoxazine;10-[6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenothiazine;N,N-diphenyl-9-[6-[3-(N-phenylanilino)carbazol-9-yl]pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-amine has a molecular weight of 2934.57 g/mol, XLogP of 48.96, 18 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline;10-[6-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-3-fluoro-2-isocyanopyrazino[2,3-f][1,10]phenanthrolin-10-yl]-1,2-dihydrophenoxazine;10-[6-(9,9-dimethylacridin-10-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenothiazine;N,N-diphenyl-9-[6-[3-(N-phenylanilino)carbazol-9-yl]pyrazino[2,3-f][1,10]phenanthrolin-11-yl]carbazol-3-amine is sourced from PubChem (CID 157095068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).