2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one

C35H25NO — CID 134576404

IUPAC2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
SMILESCc1ccc2c(=O)n(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccc(C)cc3c2c1
InChIInChI=1S/C35H25NO/c1-22-16-18-29-30(20-22)31-21-23(2)17-19-32(31)36(35(29)37)34-27-14-8-6-12-25(27)33(24-10-4-3-5-11-24)26-13-7-9-15-28(26)34/h3-21H,1-2H3
InChIKeyMCOZARZEDSAIID-UHFFFAOYSA-N
MW475.59 g/mol
LogP8.73
Rot. Bonds2

About 2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one

2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one (PubChem CID 134576404) has the molecular formula C35H25NO and a molecular weight of 475.59 g/mol. Its IUPAC name is 2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one.

Molecular Properties

Compound Name2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
PubChem CID134576404
Molecular FormulaC35H25NO
Molecular Weight475.59 g/mol
Exact Mass475.19
IUPAC Name2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
SMILESCc1ccc2c(=O)n(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccc(C)cc3c2c1
InChIInChI=1S/C35H25NO/c1-22-16-18-29-30(20-22)31-21-23(2)17-19-32(31)36(35(29)37)34-27-14-8-6-12-25(27)33(24-10-4-3-5-11-24)26-13-7-9-15-28(26)34/h3-21H,1-2H3
InChIKeyMCOZARZEDSAIID-UHFFFAOYSA-N
XLogP8.73
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576418
2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576225
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 59844582
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159365234
3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 157052187
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one
CID 134576445
9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729209
2,9-dimethyl-10-phenylanthracene
CID 58435289
5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one
CID 134576419
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one
CID 134576237
2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one
CID 134576288

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one?
The IUPAC name of 2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one (CID 134576404) is 2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one.
What is the SMILES notation for 2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one?
The canonical SMILES for 2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one is Cc1ccc2c(=O)n(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccc(C)cc3c2c1.
What is the InChIKey of 2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one?
The InChIKey is MCOZARZEDSAIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25NO/c1-22-16-18-29-30(20-22)31-21-23(2)17-19-32(31)36(35(29)37)34-27-14-8-6-12-25(27)33(24-10-4-3-5-11-24)26-13-7-9-15-28(26)34/h3-21H,1-2H3.
What are the key properties of 2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one?
2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one has a molecular weight of 475.59 g/mol, XLogP of 8.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one is sourced from PubChem (CID 134576404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).