9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine

C63H45N5 — CID 129037640

IUPAC9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc4nc(-c5ccc(-c6ccccc6)cc5)c(-c5ccc(-c6ccccc6)cc5)nc4nc3-c3ccc(-c4ccccc4)cc3)cc2)c2ccccc21
InChIInChI=1S/C63H45N5/c1-63(2)53-22-12-14-24-55(53)68(56-25-15-13-23-54(56)63)52-40-38-51(39-41-52)60-59(50-36-30-47(31-37-50)44-20-10-5-11-21-44)66-61-62(67-60)65-58(49-34-28-46(29-35-49)43-18-8-4-9-19-43)57(64-61)48-32-26-45(27-33-48)42-16-6-3-7-17-42/h3-41H,1-2H3
InChIKeyUCJZQCPIICVFIM-UHFFFAOYSA-N
MW872.09 g/mol
LogP16.20
Rot. Bonds8

About 9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine

9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine (PubChem CID 129037640) has the molecular formula C63H45N5 and a molecular weight of 872.09 g/mol. Its IUPAC name is 9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine.

Molecular Properties

Compound Name9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
PubChem CID129037640
Molecular FormulaC63H45N5
Molecular Weight872.09 g/mol
Exact Mass871.37
IUPAC Name9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc4nc(-c5ccc(-c6ccccc6)cc5)c(-c5ccc(-c6ccccc6)cc5)nc4nc3-c3ccc(-c4ccccc4)cc3)cc2)c2ccccc21
InChIInChI=1S/C63H45N5/c1-63(2)53-22-12-14-24-55(53)68(56-25-15-13-23-54(56)63)52-40-38-51(39-41-52)60-59(50-36-30-47(31-37-50)44-20-10-5-11-21-44)66-61-62(67-60)65-58(49-34-28-46(29-35-49)43-18-8-4-9-19-43)57(64-61)48-32-26-45(27-33-48)42-16-6-3-7-17-42/h3-41H,1-2H3
InChIKeyUCJZQCPIICVFIM-UHFFFAOYSA-N
XLogP16.20
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.09
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine with MolForge

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Related Compounds

10-[4-[2,3-bis(3,4-difluorophenyl)-7-phenylpyrazino[2,3-b]pyrazin-6-yl]phenyl]-9,9-dimethylacridine
CID 129037633
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
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 118532601
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
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
9,9-dimethyl-10-[4-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine
CID 168805920
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
3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole
CID 121245061
10-[4-(1,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244948
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine?
The IUPAC name of 9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine (CID 129037640) is 9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine.
What is the SMILES notation for 9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine?
The canonical SMILES for 9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine is CC1(C)c2ccccc2N(c2ccc(-c3nc4nc(-c5ccc(-c6ccccc6)cc5)c(-c5ccc(-c6ccccc6)cc5)nc4nc3-c3ccc(-c4ccccc4)cc3)cc2)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine?
The InChIKey is UCJZQCPIICVFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N5/c1-63(2)53-22-12-14-24-55(53)68(56-25-15-13-23-54(56)63)52-40-38-51(39-41-52)60-59(50-36-30-47(31-37-50)44-20-10-5-11-21-44)66-61-62(67-60)65-58(49-34-28-46(29-35-49)43-18-8-4-9-19-43)57(64-61)48-32-26-45(27-33-48)42-16-6-3-7-17-42/h3-41H,1-2H3.
What are the key properties of 9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine?
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine has a molecular weight of 872.09 g/mol, XLogP of 16.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine is sourced from PubChem (CID 129037640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).