5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one

C34H23NO — CID 134576419

IUPAC5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one
SMILESCc1ccccc1-c1c2ccccc2c(-n2c(=O)c3ccccc3c3ccccc32)c2ccccc12
InChIInChI=1S/C34H23NO/c1-22-12-2-3-13-23(22)32-26-16-5-7-18-28(26)33(29-19-8-6-17-27(29)32)35-31-21-11-10-15-25(31)24-14-4-9-20-30(24)34(35)36/h2-21H,1H3
InChIKeyGTLLZYKRNPRUIB-UHFFFAOYSA-N
MW461.56 g/mol
LogP8.43
Rot. Bonds2

About 5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one

5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one (PubChem CID 134576419) has the molecular formula C34H23NO and a molecular weight of 461.56 g/mol. Its IUPAC name is 5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one.

Molecular Properties

Compound Name5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one
PubChem CID134576419
Molecular FormulaC34H23NO
Molecular Weight461.56 g/mol
Exact Mass461.18
IUPAC Name5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one
SMILESCc1ccccc1-c1c2ccccc2c(-n2c(=O)c3ccccc3c3ccccc32)c2ccccc12
InChIInChI=1S/C34H23NO/c1-22-12-2-3-13-23(22)32-26-16-5-7-18-28(26)33(29-19-8-6-17-27(29)32)35-31-21-11-10-15-25(31)24-14-4-9-20-30(24)34(35)36/h2-21H,1H3
InChIKeyGTLLZYKRNPRUIB-UHFFFAOYSA-N
XLogP8.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 58.43
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
2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576404
2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576225
5-[2,3-bis(ethenyl)-4-naphthalen-1-ylnaphthalen-1-yl]phenanthridin-6-one
CID 142363116
5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one
CID 90379871
5-(2-bromo-4-methylphenyl)phenanthridin-6-one
CID 13139082
5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one
CID 86007842
9-[2-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 67374081
5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one
CID 134576237
2-methyl-4-(2-methylphenyl)isoquinolin-1-one
CID 10377377
10-[2-(dimethylamino)-3-(2-methylphenyl)carbazol-9-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one
CID 121244918
2-bromo-5-(2-methylphenyl)phenanthridin-6-one
CID 146311346

Frequently Asked Questions

What is the IUPAC name of 5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one?
The IUPAC name of 5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one (CID 134576419) is 5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one.
What is the SMILES notation for 5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one?
The canonical SMILES for 5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one is Cc1ccccc1-c1c2ccccc2c(-n2c(=O)c3ccccc3c3ccccc32)c2ccccc12.
What is the InChIKey of 5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one?
The InChIKey is GTLLZYKRNPRUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NO/c1-22-12-2-3-13-23(22)32-26-16-5-7-18-28(26)33(29-19-8-6-17-27(29)32)35-31-21-11-10-15-25(31)24-14-4-9-20-30(24)34(35)36/h2-21H,1H3.
What are the key properties of 5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one?
5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one has a molecular weight of 461.56 g/mol, XLogP of 8.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one is sourced from PubChem (CID 134576419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).