2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one

C43H27NO — CID 142451944

IUPAC2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one
SMILESO=c1c2ccccc2c2cc(-c3ccccc3)ccc2n1-c1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C43H27NO/c45-43-39-20-9-8-19-37(39)41-27-30(28-11-2-1-3-12-28)22-24-42(41)44(43)32-14-10-13-29(25-32)31-21-23-38-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(38)26-31/h1-27H
InChIKeyCLGUEOWTLYODDR-UHFFFAOYSA-N
MW573.70 g/mol
LogP10.94
Rot. Bonds3

About 2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one

2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one (PubChem CID 142451944) has the molecular formula C43H27NO and a molecular weight of 573.70 g/mol. Its IUPAC name is 2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one.

Molecular Properties

Compound Name2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one
PubChem CID142451944
Molecular FormulaC43H27NO
Molecular Weight573.70 g/mol
Exact Mass573.21
IUPAC Name2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one
SMILESO=c1c2ccccc2c2cc(-c3ccccc3)ccc2n1-c1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C43H27NO/c45-43-39-20-9-8-19-37(39)41-27-30(28-11-2-1-3-12-28)22-24-42(41)44(43)32-14-10-13-29(25-32)31-21-23-38-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(38)26-31/h1-27H
InChIKeyCLGUEOWTLYODDR-UHFFFAOYSA-N
XLogP10.94
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 510.94
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
3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole
CID 160984322
2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one
CID 90379886
5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one
CID 134576237
9-[3-(7-phenyltriphenylen-2-yl)phenyl]carbazole
CID 174278174
9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one
CID 139524600
6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one
CID 146302394
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165386227
CID 163503473
CID 163503473
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
9-(3-triphenylen-2-ylphenyl)carbazole
CID 88924379

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one?
The IUPAC name of 2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one (CID 142451944) is 2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one.
What is the SMILES notation for 2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one?
The canonical SMILES for 2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one is O=c1c2ccccc2c2cc(-c3ccccc3)ccc2n1-c1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.
What is the InChIKey of 2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one?
The InChIKey is CLGUEOWTLYODDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO/c45-43-39-20-9-8-19-37(39)41-27-30(28-11-2-1-3-12-28)22-24-42(41)44(43)32-14-10-13-29(25-32)31-21-23-38-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(38)26-31/h1-27H.
What are the key properties of 2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one?
2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one has a molecular weight of 573.70 g/mol, XLogP of 10.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one is sourced from PubChem (CID 142451944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).