10,10-dimethyl-2-[4-[4-(4-pyridin-3-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one

C167H121N9O4 — CID 159047099

IUPAC10,10-dimethyl-2-[4-[4-(4-pyridin-3-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one
SMILESCC1(C)c2ccccc2C(=O)c2cc(-c3ccc(-c4ccc(-c5nc(-c6cccnc6)nc(-c6ccc7nccnc7c6)n5)cc4)cc3)ccc21.CC1(C)c2ccccc2C(=O)c2cc(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c4)cc3)ccc21.CC1(C)c2ccccc2C(=O)c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc21.CC1(C)c2ccccc2C(=O)c2ccc(-c3ccccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc21
InChIInChI=1S/C45H33NO.C44H30N6O.2C39H29NO/c1-45(2)40-19-10-9-18-38(40)44(47)39-27-35(24-25-41(39)45)32-22-20-31(21-23-32)34-16-11-17-36(26-34)43-29-37(30-12-5-3-6-13-30)28-42(46-43)33-14-7-4-8-15-33;1-44(2)36-8-4-3-7-34(36)40(51)35-24-31(17-19-37(35)44)29-11-9-27(10-12-29)28-13-15-30(16-14-28)41-48-42(50-43(49-41)33-6-5-21-45-26-33)32-18-20-38-39(25-32)47-23-22-46-38;1-39(2)34-20-12-11-19-32(34)38(41)33-22-21-28(23-35(33)39)30-17-9-10-18-31(30)37-25-29(26-13-5-3-6-14-26)24-36(40-37)27-15-7-4-8-16-27;1-39(2)34-19-10-9-18-32(34)38(41)33-21-20-30(23-35(33)39)28-16-11-17-29(22-28)31-24-36(26-12-5-3-6-13-26)40-37(25-31)27-14-7-4-8-15-27/h3-29H,1-2H3;3-26H,1-2H3;2*3-25H,1-2H3
InChIKeyJWUHVWIXESYRKR-UHFFFAOYSA-N
MW2317.86 g/mol
LogP39.94
Rot. Bonds18

About 10,10-dimethyl-2-[4-[4-(4-pyridin-3-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one

10,10-dimethyl-2-[4-[4-(4-pyridin-3-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one (PubChem CID 159047099) has the molecular formula C167H121N9O4 and a molecular weight of 2317.86 g/mol. Its IUPAC name is 10,10-dimethyl-2-[4-[4-(4-pyridin-3-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one.

Molecular Properties

Compound Name10,10-dimethyl-2-[4-[4-(4-pyridin-3-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one
PubChem CID159047099
Molecular FormulaC167H121N9O4
Molecular Weight2317.86 g/mol
Exact Mass2315.95
IUPAC Name10,10-dimethyl-2-[4-[4-(4-pyridin-3-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one
SMILESCC1(C)c2ccccc2C(=O)c2cc(-c3ccc(-c4ccc(-c5nc(-c6cccnc6)nc(-c6ccc7nccnc7c6)n5)cc4)cc3)ccc21.CC1(C)c2ccccc2C(=O)c2cc(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c4)cc3)ccc21.CC1(C)c2ccccc2C(=O)c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc21.CC1(C)c2ccccc2C(=O)c2ccc(-c3ccccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc21
InChIInChI=1S/C45H33NO.C44H30N6O.2C39H29NO/c1-45(2)40-19-10-9-18-38(40)44(47)39-27-35(24-25-41(39)45)32-22-20-31(21-23-32)34-16-11-17-36(26-34)43-29-37(30-12-5-3-6-13-30)28-42(46-43)33-14-7-4-8-15-33;1-44(2)36-8-4-3-7-34(36)40(51)35-24-31(17-19-37(35)44)29-11-9-27(10-12-29)28-13-15-30(16-14-28)41-48-42(50-43(49-41)33-6-5-21-45-26-33)32-18-20-38-39(25-32)47-23-22-46-38;1-39(2)34-20-12-11-19-32(34)38(41)33-22-21-28(23-35(33)39)30-17-9-10-18-31(30)37-25-29(26-13-5-3-6-14-26)24-36(40-37)27-15-7-4-8-16-27;1-39(2)34-19-10-9-18-32(34)38(41)33-21-20-30(23-35(33)39)28-16-11-17-29(22-28)31-24-36(26-12-5-3-6-13-26)40-37(25-31)27-14-7-4-8-15-27/h3-29H,1-2H3;3-26H,1-2H3;2*3-25H,1-2H3
InChIKeyJWUHVWIXESYRKR-UHFFFAOYSA-N
XLogP39.94
TPSA184.29 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002317.86
LogP ≤ 539.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 10,10-dimethyl-2-[4-[4-(4-pyridin-3-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one with MolForge

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Related Compounds

6-[[[5-Fluoro-2-[6-[5-fluoro-6-(isoquinolin-6-ylmethylamino)pyrimidin-4-yl]quinolin-7-yl]-6-quinolin-6-ylpyrimidin-4-yl]amino]methyl]naphthalene-2-carboxamide
CID 145293426
1-(2-Fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone
CID 147736533
1-(3-Fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone
CID 148271286
2-[4-[3-[4-(Pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]ethanone
CID 149341446
(6aR,7R,10aR)-4-(2-fluorophenyl)-9-isocyano-7,10a-dimethyl-2-quinolin-4-yl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aR)-9-isocyano-7,10a-dimethyl-4-(4-methylphenyl)-2-(2-methyl-4-pyridinyl)-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-9-isocyano-7,10a-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;bis((6aR,7R,10aS)-9-isocyano-4,7,10a-trimethyl-2-pyridin-4-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one)
CID 158688399
2-[4-[3-[4-(Pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
CID 158815493
cumene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;N-methyl-4-propan-2-ylaniline;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-(4-propan-2-ylphenyl)ethanone;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 159372080
N-[4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;methane;4-methyl-N-[6-(2-oxobut-3-enyl)naphthalen-2-yl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-(2-prop-2-enoyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide
CID 159800070
(6aR,7R,10aR)-9-isocyano-7,10a-dimethyl-4-(4-methylphenyl)-2-(2-methyl-4-pyridinyl)-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-9-isocyano-7,10a-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-9-isocyano-7,10a-dimethyl-4-(3-propan-2-ylphenyl)-2-quinolin-4-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;bis((6aR,7R,10aS)-9-isocyano-4,7,10a-trimethyl-2-pyridin-4-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one)
CID 160004262
(E)-5-(dimethylamino)-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;1-[2-(4-methylimidazol-1-yl)-4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]but-3-en-2-one;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]but-3-en-2-one;(E)-1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]pent-3-en-2-one;1-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]-2-(trifluoromethyl)phenyl]but-3-en-2-one
CID 160089924
(6aR,7R,10aS)-9-isocyano-7,10a-dimethyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(6aR,7R,10aS)-9-isocyano-7,10a-dimethyl-4-(3-propan-2-ylphenyl)-2-quinolin-4-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;bis((6aR,7R,10aS)-9-isocyano-4,7,10a-trimethyl-2-pyridin-4-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one)
CID 160635877
2-[4-[3-(4-Pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
CID 160782838

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-2-[4-[4-(4-pyridin-3-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one?
The IUPAC name of 10,10-dimethyl-2-[4-[4-(4-pyridin-3-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one (CID 159047099) is 10,10-dimethyl-2-[4-[4-(4-pyridin-3-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one.
What is the SMILES notation for 10,10-dimethyl-2-[4-[4-(4-pyridin-3-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one?
The canonical SMILES for 10,10-dimethyl-2-[4-[4-(4-pyridin-3-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one is CC1(C)c2ccccc2C(=O)c2cc(-c3ccc(-c4ccc(-c5nc(-c6cccnc6)nc(-c6ccc7nccnc7c6)n5)cc4)cc3)ccc21.CC1(C)c2ccccc2C(=O)c2cc(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c4)cc3)ccc21.CC1(C)c2ccccc2C(=O)c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc21.CC1(C)c2ccccc2C(=O)c2ccc(-c3ccccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc21.
What is the InChIKey of 10,10-dimethyl-2-[4-[4-(4-pyridin-3-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one?
The InChIKey is JWUHVWIXESYRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33NO.C44H30N6O.2C39H29NO/c1-45(2)40-19-10-9-18-38(40)44(47)39-27-35(24-25-41(39)45)32-22-20-31(21-23-32)34-16-11-17-36(26-34)43-29-37(30-12-5-3-6-13-30)28-42(46-43)33-14-7-4-8-15-33;1-44(2)36-8-4-3-7-34(36)40(51)35-24-31(17-19-37(35)44)29-11-9-27(10-12-29)28-13-15-30(16-14-28)41-48-42(50-43(49-41)33-6-5-21-45-26-33)32-18-20-38-39(25-32)47-23-22-46-38;1-39(2)34-20-12-11-19-32(34)38(41)33-22-21-28(23-35(33)39)30-17-9-10-18-31(30)37-25-29(26-13-5-3-6-14-26)24-36(40-37)27-15-7-4-8-16-27;1-39(2)34-19-10-9-18-32(34)38(41)33-21-20-30(23-35(33)39)28-16-11-17-29(22-28)31-24-36(26-12-5-3-6-13-26)40-37(25-31)27-14-7-4-8-15-27/h3-29H,1-2H3;3-26H,1-2H3;2*3-25H,1-2H3.
What are the key properties of 10,10-dimethyl-2-[4-[4-(4-pyridin-3-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one?
10,10-dimethyl-2-[4-[4-(4-pyridin-3-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one has a molecular weight of 2317.86 g/mol, XLogP of 39.94, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-2-[4-[4-(4-pyridin-3-yl-6-quinoxalin-6-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one is sourced from PubChem (CID 159047099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).