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

C53H33NO — CID 134576418

IUPAC2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one
SMILESO=c1c2ccccc2c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2n1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C53H33NO/c55-53-46-30-16-7-21-37(46)47-33-36(51-40-24-10-8-22-38(40)49(34-17-3-1-4-18-34)39-23-9-11-25-41(39)51)31-32-48(47)54(53)52-44-28-14-12-26-42(44)50(35-19-5-2-6-20-35)43-27-13-15-29-45(43)52/h1-33H
InChIKeyIJEHRAHPYFNFMX-UHFFFAOYSA-N
MW699.85 g/mol
LogP13.76
Rot. Bonds4

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

2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one (PubChem CID 134576418) has the molecular formula C53H33NO and a molecular weight of 699.85 g/mol. Its IUPAC name is 2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one.

Molecular Properties

Compound Name2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one
PubChem CID134576418
Molecular FormulaC53H33NO
Molecular Weight699.85 g/mol
Exact Mass699.26
IUPAC Name2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one
SMILESO=c1c2ccccc2c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2n1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C53H33NO/c55-53-46-30-16-7-21-37(46)47-33-36(51-40-24-10-8-22-38(40)49(34-17-3-1-4-18-34)39-23-9-11-25-41(39)51)31-32-48(47)54(53)52-44-28-14-12-26-42(44)50(35-19-5-2-6-20-35)43-27-13-15-29-45(43)52/h1-33H
InChIKeyIJEHRAHPYFNFMX-UHFFFAOYSA-N
XLogP13.76
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.85
LogP ≤ 513.76
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-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576225
2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576404
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
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
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215
2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one
CID 134576389
2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one
CID 90379886
9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole
CID 130377424
2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one
CID 142451944
2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one
CID 142363203

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one?
The IUPAC name of 2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one (CID 134576418) is 2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one.
What is the SMILES notation for 2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one?
The canonical SMILES for 2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one is O=c1c2ccccc2c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2n1-c1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one?
The InChIKey is IJEHRAHPYFNFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NO/c55-53-46-30-16-7-21-37(46)47-33-36(51-40-24-10-8-22-38(40)49(34-17-3-1-4-18-34)39-23-9-11-25-41(39)51)31-32-48(47)54(53)52-44-28-14-12-26-42(44)50(35-19-5-2-6-20-35)43-27-13-15-29-45(43)52/h1-33H.
What are the key properties of 2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one?
2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one has a molecular weight of 699.85 g/mol, XLogP of 13.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one is sourced from PubChem (CID 134576418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).