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

C90H64N6O2 — CID 158367516

IUPAC10,10-dimethyl-3-[4-[4-(4-phenyl-6-quinazolin-5-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one
SMILESCC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7ncncc67)n5)cc4)cc3)cc21.CC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4)cc3)cc21
InChIInChI=1S/C45H31N5O.C45H33NO/c1-45(2)38-13-7-6-11-35(38)41(51)36-24-23-33(25-39(36)45)30-17-15-28(16-18-30)29-19-21-32(22-20-29)43-48-42(31-9-4-3-5-10-31)49-44(50-43)34-12-8-14-40-37(34)26-46-27-47-40;1-45(2)40-19-10-9-18-38(40)44(47)39-25-24-36(27-41(39)45)31-22-20-30(21-23-31)34-16-11-17-35(26-34)37-28-42(32-12-5-3-6-13-32)46-43(29-37)33-14-7-4-8-15-33/h3-27H,1-2H3;3-29H,1-2H3
InChIKeyGUFCJWNAPXRQMN-UHFFFAOYSA-N
MW1261.54 g/mol
LogP21.31
Rot. Bonds10

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

10,10-dimethyl-3-[4-[4-(4-phenyl-6-quinazolin-5-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one (PubChem CID 158367516) has the molecular formula C90H64N6O2 and a molecular weight of 1261.54 g/mol. Its IUPAC name is 10,10-dimethyl-3-[4-[4-(4-phenyl-6-quinazolin-5-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one.

Molecular Properties

Compound Name10,10-dimethyl-3-[4-[4-(4-phenyl-6-quinazolin-5-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one
PubChem CID158367516
Molecular FormulaC90H64N6O2
Molecular Weight1261.54 g/mol
Exact Mass1260.51
IUPAC Name10,10-dimethyl-3-[4-[4-(4-phenyl-6-quinazolin-5-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one
SMILESCC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7ncncc67)n5)cc4)cc3)cc21.CC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4)cc3)cc21
InChIInChI=1S/C45H31N5O.C45H33NO/c1-45(2)38-13-7-6-11-35(38)41(51)36-24-23-33(25-39(36)45)30-17-15-28(16-18-30)29-19-21-32(22-20-29)43-48-42(31-9-4-3-5-10-31)49-44(50-43)34-12-8-14-40-37(34)26-46-27-47-40;1-45(2)40-19-10-9-18-38(40)44(47)39-25-24-36(27-41(39)45)31-22-20-30(21-23-31)34-16-11-17-35(26-34)37-28-42(32-12-5-3-6-13-32)46-43(29-37)33-14-7-4-8-15-33/h3-27H,1-2H3;3-29H,1-2H3
InChIKeyGUFCJWNAPXRQMN-UHFFFAOYSA-N
XLogP21.31
TPSA111.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001261.54
LogP ≤ 521.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

VX-984
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3-(2-anilinoquinazolin-6-yl)-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 16086142
2-(4-Methylphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]quinoline
CID 2093195
4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 56663021
5-[5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-2-carboxamide
CID 68204942
(6aS,10aR)-4-(2-fluorophenyl)-7,7,10a-trimethyl-8-oxo-2-quinolin-4-yl-6,6a-dihydro-5H-benzo[h]quinazoline-9-carbonitrile
CID 135131274
(6aR,7R,10aS)-4-(2-fluorophenyl)-7,10a-dimethyl-8-oxo-2-quinolin-4-yl-5,6,6a,7-tetrahydrobenzo[h]quinazoline-9-carbonitrile
CID 135131593
(6aR,7R,10aS)-7,10a-dimethyl-8-oxo-2,4-dipyridin-4-yl-5,6,6a,7-tetrahydrobenzo[h]quinazoline-9-carbonitrile
CID 135131939
(6aR,7R,10aS)-7,10a-dimethyl-8-oxo-4-pyridin-3-yl-2-pyridin-4-yl-5,6,6a,7-tetrahydrobenzo[h]quinazoline-9-carbonitrile
CID 135131962
(2-Phenyl-4-pyridin-4-ylquinazolin-7-yl)-piperidin-1-ylmethanone
CID 146476162
(2-Phenyl-4-pyridin-3-ylquinazolin-7-yl)-piperidin-1-ylmethanone
CID 146476163
(6aR,7R,10aS)-4-(2-fluorophenyl)-10a-methyl-8-oxo-7-propyl-2-quinolin-4-yl-5,6,6a,7-tetrahydrobenzo[h]quinazoline-9-carbonitrile
CID 146502912

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-3-[4-[4-(4-phenyl-6-quinazolin-5-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one?
The IUPAC name of 10,10-dimethyl-3-[4-[4-(4-phenyl-6-quinazolin-5-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one (CID 158367516) is 10,10-dimethyl-3-[4-[4-(4-phenyl-6-quinazolin-5-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one.
What is the SMILES notation for 10,10-dimethyl-3-[4-[4-(4-phenyl-6-quinazolin-5-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one?
The canonical SMILES for 10,10-dimethyl-3-[4-[4-(4-phenyl-6-quinazolin-5-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one is CC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc7ncncc67)n5)cc4)cc3)cc21.CC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4)cc3)cc21.
What is the InChIKey of 10,10-dimethyl-3-[4-[4-(4-phenyl-6-quinazolin-5-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one?
The InChIKey is GUFCJWNAPXRQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N5O.C45H33NO/c1-45(2)38-13-7-6-11-35(38)41(51)36-24-23-33(25-39(36)45)30-17-15-28(16-18-30)29-19-21-32(22-20-29)43-48-42(31-9-4-3-5-10-31)49-44(50-43)34-12-8-14-40-37(34)26-46-27-47-40;1-45(2)40-19-10-9-18-38(40)44(47)39-25-24-36(27-41(39)45)31-22-20-30(21-23-31)34-16-11-17-35(26-34)37-28-42(32-12-5-3-6-13-32)46-43(29-37)33-14-7-4-8-15-33/h3-27H,1-2H3;3-29H,1-2H3.
What are the key properties of 10,10-dimethyl-3-[4-[4-(4-phenyl-6-quinazolin-5-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one?
10,10-dimethyl-3-[4-[4-(4-phenyl-6-quinazolin-5-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one has a molecular weight of 1261.54 g/mol, XLogP of 21.31, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-3-[4-[4-(4-phenyl-6-quinazolin-5-yl-1,3,5-triazin-2-yl)phenyl]phenyl]anthracen-9-one;3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one is sourced from PubChem (CID 158367516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).