2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one

C44H28N2O — CID 134576389

IUPAC2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one
SMILESO=c1c2ccccc2c2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)ccc2n1-c1cccnc1
InChIInChI=1S/C44H28N2O/c47-44-38-20-10-7-17-34(38)39-26-32(22-24-41(39)46(44)33-16-11-25-45-28-33)31-21-23-37-40(27-31)43(30-14-5-2-6-15-30)36-19-9-8-18-35(36)42(37)29-12-3-1-4-13-29/h1-28H
InChIKeyDJIZOTXQQVKTKN-UHFFFAOYSA-N
MW600.72 g/mol
LogP10.85
Rot. Bonds4

About 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one

2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one (PubChem CID 134576389) has the molecular formula C44H28N2O and a molecular weight of 600.72 g/mol. Its IUPAC name is 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one.

Molecular Properties

Compound Name2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one
PubChem CID134576389
Molecular FormulaC44H28N2O
Molecular Weight600.72 g/mol
Exact Mass600.22
IUPAC Name2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one
SMILESO=c1c2ccccc2c2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)ccc2n1-c1cccnc1
InChIInChI=1S/C44H28N2O/c47-44-38-20-10-7-17-34(38)39-26-32(22-24-41(39)46(44)33-16-11-25-45-28-33)31-21-23-37-40(27-31)43(30-14-5-2-6-15-30)36-19-9-8-18-35(36)42(37)29-12-3-1-4-13-29/h1-28H
InChIKeyDJIZOTXQQVKTKN-UHFFFAOYSA-N
XLogP10.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one
CID 134576445
8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814
2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one
CID 134576288
2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576225
2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one
CID 142451944
2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576418
5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one
CID 134576237
2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one
CID 142363203
8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 118601871
6-(3-triphenylen-2-ylphenyl)benzo[c][2,6]naphthyridin-5-one
CID 146302394
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
3-(2,6-diphenyl-10-pyridin-3-ylanthracen-9-yl)-6-isocyano-9-phenylcarbazole
CID 123347422

Frequently Asked Questions

What is the IUPAC name of 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one?
The IUPAC name of 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one (CID 134576389) is 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one.
What is the SMILES notation for 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one?
The canonical SMILES for 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one is O=c1c2ccccc2c2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)ccc2n1-c1cccnc1.
What is the InChIKey of 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one?
The InChIKey is DJIZOTXQQVKTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O/c47-44-38-20-10-7-17-34(38)39-26-32(22-24-41(39)46(44)33-16-11-25-45-28-33)31-21-23-37-40(27-31)43(30-14-5-2-6-15-30)36-19-9-8-18-35(36)42(37)29-12-3-1-4-13-29/h1-28H.
What are the key properties of 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one?
2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one has a molecular weight of 600.72 g/mol, XLogP of 10.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one is sourced from PubChem (CID 134576389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).