2,7-dimethyl-10-(2-phenylnaphthalen-1-yl)acridin-9-one

C31H23NO — CID 59572907

IUPAC2,7-dimethyl-10-(2-phenylnaphthalen-1-yl)acridin-9-one
SMILESCc1ccc2c(c1)c(=O)c1cc(C)ccc1n2-c1c(-c2ccccc2)ccc2ccccc12
InChIInChI=1S/C31H23NO/c1-20-12-16-28-26(18-20)31(33)27-19-21(2)13-17-29(27)32(28)30-24-11-7-6-10-23(24)14-15-25(30)22-8-4-3-5-9-22/h3-19H,1-2H3
InChIKeyLBZOYXWLNRKDOY-UHFFFAOYSA-N
MW425.53 g/mol
LogP7.58
Rot. Bonds2

About 2,7-dimethyl-10-(2-phenylnaphthalen-1-yl)acridin-9-one

2,7-dimethyl-10-(2-phenylnaphthalen-1-yl)acridin-9-one (PubChem CID 59572907) has the molecular formula C31H23NO and a molecular weight of 425.53 g/mol. Its IUPAC name is 2,7-dimethyl-10-(2-phenylnaphthalen-1-yl)acridin-9-one.

Molecular Properties

Compound Name2,7-dimethyl-10-(2-phenylnaphthalen-1-yl)acridin-9-one
PubChem CID59572907
Molecular FormulaC31H23NO
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC Name2,7-dimethyl-10-(2-phenylnaphthalen-1-yl)acridin-9-one
SMILESCc1ccc2c(c1)c(=O)c1cc(C)ccc1n2-c1c(-c2ccccc2)ccc2ccccc12
InChIInChI=1S/C31H23NO/c1-20-12-16-28-26(18-20)31(33)27-19-21(2)13-17-29(27)32(28)30-24-11-7-6-10-23(24)14-15-25(30)22-8-4-3-5-9-22/h3-19H,1-2H3
InChIKeyLBZOYXWLNRKDOY-UHFFFAOYSA-N
XLogP7.58
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3-methylcarbazole
CID 158199307
10-methyl-7-phenylbenzo[c]carbazole
CID 66635542
9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 142508189
2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576404
3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 146511875
10-benzyl-2-chloro-7-methylacridin-9-one
CID 139792411
3-(4-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 130412631
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
9-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 167031924
3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole
CID 146512463
3,5-dimethyl-9-phenylphenanthrene
CID 132535300

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-10-(2-phenylnaphthalen-1-yl)acridin-9-one?
The IUPAC name of 2,7-dimethyl-10-(2-phenylnaphthalen-1-yl)acridin-9-one (CID 59572907) is 2,7-dimethyl-10-(2-phenylnaphthalen-1-yl)acridin-9-one.
What is the SMILES notation for 2,7-dimethyl-10-(2-phenylnaphthalen-1-yl)acridin-9-one?
The canonical SMILES for 2,7-dimethyl-10-(2-phenylnaphthalen-1-yl)acridin-9-one is Cc1ccc2c(c1)c(=O)c1cc(C)ccc1n2-c1c(-c2ccccc2)ccc2ccccc12.
What is the InChIKey of 2,7-dimethyl-10-(2-phenylnaphthalen-1-yl)acridin-9-one?
The InChIKey is LBZOYXWLNRKDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO/c1-20-12-16-28-26(18-20)31(33)27-19-21(2)13-17-29(27)32(28)30-24-11-7-6-10-23(24)14-15-25(30)22-8-4-3-5-9-22/h3-19H,1-2H3.
What are the key properties of 2,7-dimethyl-10-(2-phenylnaphthalen-1-yl)acridin-9-one?
2,7-dimethyl-10-(2-phenylnaphthalen-1-yl)acridin-9-one has a molecular weight of 425.53 g/mol, XLogP of 7.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-10-(2-phenylnaphthalen-1-yl)acridin-9-one is sourced from PubChem (CID 59572907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).