11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline

C50H48N6 — CID 129089081

IUPAC11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline
SMILESCCCc1nc2c3cc(N4c5ccccc5C(C)(C)c5ccccc54)cnc3c3ncc(N4c5ccccc5C(C)(C)C5C=CC=CC54)cc3c2nc1CCC
InChIInChI=1S/C50H48N6/c1-7-17-39-40(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/h9-16,19-30,35,41H,7-8,17-18H2,1-6H3
InChIKeyNGPISALVJVIHOB-UHFFFAOYSA-N
MW732.98 g/mol
LogP12.28
Rot. Bonds6

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

11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline (PubChem CID 129089081) has the molecular formula C50H48N6 and a molecular weight of 732.98 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.

Molecular Properties

Compound Name11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline
PubChem CID129089081
Molecular FormulaC50H48N6
Molecular Weight732.98 g/mol
Exact Mass732.39
IUPAC Name11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline
SMILESCCCc1nc2c3cc(N4c5ccccc5C(C)(C)c5ccccc54)cnc3c3ncc(N4c5ccccc5C(C)(C)C5C=CC=CC54)cc3c2nc1CCC
InChIInChI=1S/C50H48N6/c1-7-17-39-40(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/h9-16,19-30,35,41H,7-8,17-18H2,1-6H3
InChIKeyNGPISALVJVIHOB-UHFFFAOYSA-N
XLogP12.28
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.98
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-6,11-bis(5,5,6,6-tetramethylbenzo[b][1]benzazepin-11-yl)pyrazino[2,3-f][1,10]phenanthroline
CID 144946696
9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine
CID 130326840
10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine
CID 170073966
6-(9,9-dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile
CID 144946714
9,9-dimethyl-10-[3-(2-phenyl-3-pyridinyl)phenyl]-4a,9a-dihydroacridine
CID 130326838
10-[3-butyl-5-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylacridine
CID 59399664
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536
9,9-dimethyl-10-(6-methyl-3-pyridinyl)acridine
CID 118881708
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine
CID 129073049
9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine
CID 159694810
10-[8-(9,9-dimethylacridin-10-yl)quinoxalin-5-yl]-9,9-dimethylacridine
CID 121327146

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?
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 (CID 129089081) 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.
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?
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 is CCCc1nc2c3cc(N4c5ccccc5C(C)(C)c5ccccc54)cnc3c3ncc(N4c5ccccc5C(C)(C)C5C=CC=CC54)cc3c2nc1CCC.
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?
The InChIKey is NGPISALVJVIHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48N6/c1-7-17-39-40(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/h9-16,19-30,35,41H,7-8,17-18H2,1-6H3.
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?
11-(9,9-dimethyl-4a,9a-dihydroacridin-10-yl)-6-(9,9-dimethylacridin-10-yl)-2,3-dipropylpyrazino[2,3-f][1,10]phenanthroline has a molecular weight of 732.98 g/mol, XLogP of 12.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 129089081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).