3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one

C90H66N2O2 — CID 158160635

IUPAC3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one
SMILESCC1(C)c2ccccc2C(=O)c2ccc(-c3cccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc4)c3)cc21.CC1(C)c2ccccc2C(=O)c2ccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4)c3)cc21
InChIInChI=1S/2C45H33NO/c1-45(2)40-22-10-9-21-38(40)44(47)39-24-23-36(27-41(39)45)34-19-11-17-32(25-34)33-18-12-20-35(26-33)37-28-42(30-13-5-3-6-14-30)46-43(29-37)31-15-7-4-8-16-31;1-45(2)40-19-10-9-18-38(40)44(47)39-25-24-36(27-41(39)45)35-17-11-16-34(26-35)30-20-22-31(23-21-30)37-28-42(32-12-5-3-6-13-32)46-43(29-37)33-14-7-4-8-15-33/h2*3-29H,1-2H3
InChIKeyFWFOGPPDGDJJGX-UHFFFAOYSA-N
MW1207.53 g/mol
LogP22.57
Rot. Bonds10

About 3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one

3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one (PubChem CID 158160635) has the molecular formula C90H66N2O2 and a molecular weight of 1207.53 g/mol. Its IUPAC name is 3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one.

Molecular Properties

Compound Name3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one
PubChem CID158160635
Molecular FormulaC90H66N2O2
Molecular Weight1207.53 g/mol
Exact Mass1206.51
IUPAC Name3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one
SMILESCC1(C)c2ccccc2C(=O)c2ccc(-c3cccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc4)c3)cc21.CC1(C)c2ccccc2C(=O)c2ccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4)c3)cc21
InChIInChI=1S/2C45H33NO/c1-45(2)40-22-10-9-21-38(40)44(47)39-24-23-36(27-41(39)45)34-19-11-17-32(25-34)33-18-12-20-35(26-33)37-28-42(30-13-5-3-6-14-30)46-43(29-37)31-15-7-4-8-16-31;1-45(2)40-19-10-9-18-38(40)44(47)39-25-24-36(27-41(39)45)35-17-11-16-34(26-35)30-20-22-31(23-21-30)37-28-42(32-12-5-3-6-13-32)46-43(29-37)33-14-7-4-8-15-33/h2*3-29H,1-2H3
InChIKeyFWFOGPPDGDJJGX-UHFFFAOYSA-N
XLogP22.57
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001207.53
LogP ≤ 522.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one?
The IUPAC name of 3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one (CID 158160635) is 3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one.
What is the SMILES notation for 3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one?
The canonical SMILES for 3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one is CC1(C)c2ccccc2C(=O)c2ccc(-c3cccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc4)c3)cc21.CC1(C)c2ccccc2C(=O)c2ccc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4)c3)cc21.
What is the InChIKey of 3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one?
The InChIKey is FWFOGPPDGDJJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H33NO/c1-45(2)40-22-10-9-21-38(40)44(47)39-24-23-36(27-41(39)45)34-19-11-17-32(25-34)33-18-12-20-35(26-33)37-28-42(30-13-5-3-6-14-30)46-43(29-37)31-15-7-4-8-16-31;1-45(2)40-19-10-9-18-38(40)44(47)39-25-24-36(27-41(39)45)35-17-11-16-34(26-35)30-20-22-31(23-21-30)37-28-42(32-12-5-3-6-13-32)46-43(29-37)33-14-7-4-8-15-33/h2*3-29H,1-2H3.
What are the key properties of 3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one?
3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one has a molecular weight of 1207.53 g/mol, XLogP of 22.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one is sourced from PubChem (CID 158160635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).