10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine

C45H29F4N5 — CID 129037633

IUPAC10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc4nc(-c5ccc(F)c(F)c5)c(-c5ccc(F)c(F)c5)nc4nc3-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C45H29F4N5/c1-45(2)31-12-6-8-14-37(31)54(38-15-9-7-13-32(38)45)30-20-16-27(17-21-30)40-39(26-10-4-3-5-11-26)50-43-44(51-40)53-42(29-19-23-34(47)36(49)25-29)41(52-43)28-18-22-33(46)35(48)24-28/h3-25H,1-2H3
InChIKeyCUZRCZWNUJVEIC-UHFFFAOYSA-N
MW715.75 g/mol
LogP11.75
Rot. Bonds5

About 10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine

10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine (PubChem CID 129037633) has the molecular formula C45H29F4N5 and a molecular weight of 715.75 g/mol. Its IUPAC name is 10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine
PubChem CID129037633
Molecular FormulaC45H29F4N5
Molecular Weight715.75 g/mol
Exact Mass715.24
IUPAC Name10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc4nc(-c5ccc(F)c(F)c5)c(-c5ccc(F)c(F)c5)nc4nc3-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C45H29F4N5/c1-45(2)31-12-6-8-14-37(31)54(38-15-9-7-13-32(38)45)30-20-16-27(17-21-30)40-39(26-10-4-3-5-11-26)50-43-44(51-40)53-42(29-19-23-34(47)36(49)25-29)41(52-43)28-18-22-33(46)35(48)24-28/h3-25H,1-2H3
InChIKeyCUZRCZWNUJVEIC-UHFFFAOYSA-N
XLogP11.75
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.75
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970
10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528452
9,9-dimethyl-10-[4-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine
CID 168805920
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007170
2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine
CID 134579023
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244961

Frequently Asked Questions

What is the IUPAC name of 10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine (CID 129037633) is 10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc(-c3nc4nc(-c5ccc(F)c(F)c5)c(-c5ccc(F)c(F)c5)nc4nc3-c3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine?
The InChIKey is CUZRCZWNUJVEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29F4N5/c1-45(2)31-12-6-8-14-37(31)54(38-15-9-7-13-32(38)45)30-20-16-27(17-21-30)40-39(26-10-4-3-5-11-26)50-43-44(51-40)53-42(29-19-23-34(47)36(49)25-29)41(52-43)28-18-22-33(46)35(48)24-28/h3-25H,1-2H3.
What are the key properties of 10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine?
10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine has a molecular weight of 715.75 g/mol, XLogP of 11.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 129037633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).