2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one

C55H37NO — CID 90379886

IUPAC2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one
SMILESO=c1c2ccccc2c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2n1-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C55H37NO/c57-55-52-24-14-13-23-51(52)53-37-43(49-35-46(40-19-9-3-10-20-40)32-47(36-49)41-21-11-4-12-22-41)27-30-54(53)56(55)50-28-25-42(26-29-50)48-33-44(38-15-5-1-6-16-38)31-45(34-48)39-17-7-2-8-18-39/h1-37H
InChIKeyLJKWNHGVZRTWKW-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.15
Rot. Bonds7

About 2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one

2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one (PubChem CID 90379886) has the molecular formula C55H37NO and a molecular weight of 727.91 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one.

Molecular Properties

Compound Name2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one
PubChem CID90379886
Molecular FormulaC55H37NO
Molecular Weight727.91 g/mol
Exact Mass727.29
IUPAC Name2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one
SMILESO=c1c2ccccc2c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2n1-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C55H37NO/c57-55-52-24-14-13-23-51(52)53-37-43(49-35-46(40-19-9-3-10-20-40)32-47(36-49)41-21-11-4-12-22-41)27-30-54(53)56(55)50-28-25-42(26-29-50)48-33-44(38-15-5-1-6-16-38)31-45(34-48)39-17-7-2-8-18-39/h1-37H
InChIKeyLJKWNHGVZRTWKW-UHFFFAOYSA-N
XLogP14.15
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one
CID 134576445
2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one
CID 142451944
9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one
CID 139524600
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
11-[4-(3-phenylcarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 118390314
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one
CID 86007842
2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one
CID 142363203
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 118231168

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one?
The IUPAC name of 2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one (CID 90379886) is 2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one.
What is the SMILES notation for 2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one?
The canonical SMILES for 2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one is O=c1c2ccccc2c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2n1-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of 2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one?
The InChIKey is LJKWNHGVZRTWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO/c57-55-52-24-14-13-23-51(52)53-37-43(49-35-46(40-19-9-3-10-20-40)32-47(36-49)41-21-11-4-12-22-41)27-30-54(53)56(55)50-28-25-42(26-29-50)48-33-44(38-15-5-1-6-16-38)31-45(34-48)39-17-7-2-8-18-39/h1-37H.
What are the key properties of 2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one?
2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one has a molecular weight of 727.91 g/mol, XLogP of 14.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one is sourced from PubChem (CID 90379886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).