10,10-dimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]anthracen-9-one

C46H32O — CID 88888409

IUPAC10,10-dimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]anthracen-9-one
SMILESCC1(C)c2ccccc2C(=O)c2cc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)ccc21
InChIInChI=1S/C46H32O/c1-46(2)43-20-8-7-19-40(43)45(47)42-28-34(22-24-44(42)46)32-14-10-12-30(26-32)29-11-9-13-31(25-29)33-21-23-39-37-17-4-3-15-35(37)36-16-5-6-18-38(36)41(39)27-33/h3-28H,1-2H3
InChIKeySJAHZUNQRJDOAY-UHFFFAOYSA-N
MW600.76 g/mol
LogP12.02
Rot. Bonds3

About 10,10-dimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]anthracen-9-one

10,10-dimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]anthracen-9-one (PubChem CID 88888409) has the molecular formula C46H32O and a molecular weight of 600.76 g/mol. Its IUPAC name is 10,10-dimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]anthracen-9-one.

Molecular Properties

Compound Name10,10-dimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]anthracen-9-one
PubChem CID88888409
Molecular FormulaC46H32O
Molecular Weight600.76 g/mol
Exact Mass600.25
IUPAC Name10,10-dimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]anthracen-9-one
SMILESCC1(C)c2ccccc2C(=O)c2cc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)ccc21
InChIInChI=1S/C46H32O/c1-46(2)43-20-8-7-19-40(43)45(47)42-28-34(22-24-44(42)46)32-14-10-12-30(26-32)29-11-9-13-31(25-29)33-21-23-39-37-17-4-3-15-35(37)36-16-5-6-18-38(36)41(39)27-33/h3-28H,1-2H3
InChIKeySJAHZUNQRJDOAY-UHFFFAOYSA-N
XLogP12.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.76
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine
CID 177115944
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one
CID 157199940
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
6,12-bis(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylchrysene
CID 58511674
2-[4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 138600050
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
4-[3-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 138599973
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 59195515
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]chrysene
CID 140710683
21,21-dimethyl-5-[4-(10-phenylanthracen-9-yl)phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 157131299
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]anthracen-9-one?
The IUPAC name of 10,10-dimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]anthracen-9-one (CID 88888409) is 10,10-dimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]anthracen-9-one.
What is the SMILES notation for 10,10-dimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]anthracen-9-one?
The canonical SMILES for 10,10-dimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]anthracen-9-one is CC1(C)c2ccccc2C(=O)c2cc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)ccc21.
What is the InChIKey of 10,10-dimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]anthracen-9-one?
The InChIKey is SJAHZUNQRJDOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32O/c1-46(2)43-20-8-7-19-40(43)45(47)42-28-34(22-24-44(42)46)32-14-10-12-30(26-32)29-11-9-13-31(25-29)33-21-23-39-37-17-4-3-15-35(37)36-16-5-6-18-38(36)41(39)27-33/h3-28H,1-2H3.
What are the key properties of 10,10-dimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]anthracen-9-one?
10,10-dimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]anthracen-9-one has a molecular weight of 600.76 g/mol, XLogP of 12.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]anthracen-9-one is sourced from PubChem (CID 88888409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).