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

C49H31NO — CID 134576288

IUPAC2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one
SMILESO=c1c2ccccc2c2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)ccc2n1-c1ccc2ccccc2c1
InChIInChI=1S/C49H31NO/c51-49-43-22-12-9-19-39(43)44-30-37(25-28-46(44)50(49)38-26-23-32-13-7-8-18-35(32)29-38)36-24-27-42-45(31-36)48(34-16-5-2-6-17-34)41-21-11-10-20-40(41)47(42)33-14-3-1-4-15-33/h1-31H
InChIKeyLBUHXDQNUSVANX-UHFFFAOYSA-N
MW649.79 g/mol
LogP12.60
Rot. Bonds4

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

2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one (PubChem CID 134576288) has the molecular formula C49H31NO and a molecular weight of 649.79 g/mol. Its IUPAC name is 2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one.

Molecular Properties

Compound Name2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one
PubChem CID134576288
Molecular FormulaC49H31NO
Molecular Weight649.79 g/mol
Exact Mass649.24
IUPAC Name2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one
SMILESO=c1c2ccccc2c2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)ccc2n1-c1ccc2ccccc2c1
InChIInChI=1S/C49H31NO/c51-49-43-22-12-9-19-39(43)44-30-37(25-28-46(44)50(49)38-26-23-32-13-7-8-18-35(32)29-38)36-24-27-42-45(31-36)48(34-16-5-2-6-17-34)41-21-11-10-20-40(41)47(42)33-14-3-1-4-15-33/h1-31H
InChIKeyLBUHXDQNUSVANX-UHFFFAOYSA-N
XLogP12.60
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.79
LogP ≤ 512.60
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-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one
CID 134576445
9-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-(10-phenylanthracen-9-yl)carbazole
CID 160550908
12-[6-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130377465
2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one
CID 142363203
2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one
CID 134576389
9-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole
CID 59219506
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-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one
CID 90379886
2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576418
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
CID 177074696

Frequently Asked Questions

What is the IUPAC name of 2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one?
The IUPAC name of 2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one (CID 134576288) is 2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one.
What is the SMILES notation for 2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one?
The canonical SMILES for 2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one is O=c1c2ccccc2c2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)ccc2n1-c1ccc2ccccc2c1.
What is the InChIKey of 2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one?
The InChIKey is LBUHXDQNUSVANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO/c51-49-43-22-12-9-19-39(43)44-30-37(25-28-46(44)50(49)38-26-23-32-13-7-8-18-35(32)29-38)36-24-27-42-45(31-36)48(34-16-5-2-6-17-34)41-21-11-10-20-40(41)47(42)33-14-3-1-4-15-33/h1-31H.
What are the key properties of 2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one?
2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one has a molecular weight of 649.79 g/mol, XLogP of 12.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one is sourced from PubChem (CID 134576288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).