2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one

C57H37NO — CID 134576445

IUPAC2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one
SMILESO=c1c2ccccc2c2cc(-c3ccc4c(-c5ccc(-c6ccccc6)cc5)c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c4c3)ccc2n1-c1ccccc1
InChIInChI=1S/C57H37NO/c59-57-51-23-13-10-20-47(51)52-36-45(33-35-54(52)58(57)46-18-8-3-9-19-46)44-32-34-50-53(37-44)56(43-30-26-41(27-31-43)39-16-6-2-7-17-39)49-22-12-11-21-48(49)55(50)42-28-24-40(25-29-42)38-14-4-1-5-15-38/h1-37H
InChIKeyBDYQIIPCFOWPPN-UHFFFAOYSA-N
MW751.93 g/mol
LogP14.79
Rot. Bonds6

About 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one

2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one (PubChem CID 134576445) has the molecular formula C57H37NO and a molecular weight of 751.93 g/mol. Its IUPAC name is 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one.

Molecular Properties

Compound Name2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one
PubChem CID134576445
Molecular FormulaC57H37NO
Molecular Weight751.93 g/mol
Exact Mass751.29
IUPAC Name2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one
SMILESO=c1c2ccccc2c2cc(-c3ccc4c(-c5ccc(-c6ccccc6)cc5)c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c4c3)ccc2n1-c1ccccc1
InChIInChI=1S/C57H37NO/c59-57-51-23-13-10-20-47(51)52-36-45(33-35-54(52)58(57)46-18-8-3-9-19-46)44-32-34-50-53(37-44)56(43-30-26-41(27-31-43)39-16-6-2-7-17-39)49-22-12-11-21-48(49)55(50)42-28-24-40(25-29-42)38-14-4-1-5-15-38/h1-37H
InChIKeyBDYQIIPCFOWPPN-UHFFFAOYSA-N
XLogP14.79
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.93
LogP ≤ 514.79
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-[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
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-(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
2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576418
2-[10-(9,9-dimethylfluoren-4-yl)-9-phenylanthracen-2-yl]-5-phenylphenanthridin-6-one
CID 134576392
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one
CID 139524600

Frequently Asked Questions

What is the IUPAC name of 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one?
The IUPAC name of 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one (CID 134576445) is 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one.
What is the SMILES notation for 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one?
The canonical SMILES for 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one is O=c1c2ccccc2c2cc(-c3ccc4c(-c5ccc(-c6ccccc6)cc5)c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c4c3)ccc2n1-c1ccccc1.
What is the InChIKey of 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one?
The InChIKey is BDYQIIPCFOWPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NO/c59-57-51-23-13-10-20-47(51)52-36-45(33-35-54(52)58(57)46-18-8-3-9-19-46)44-32-34-50-53(37-44)56(43-30-26-41(27-31-43)39-16-6-2-7-17-39)49-22-12-11-21-48(49)55(50)42-28-24-40(25-29-42)38-14-4-1-5-15-38/h1-37H.
What are the key properties of 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one?
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one has a molecular weight of 751.93 g/mol, XLogP of 14.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one is sourced from PubChem (CID 134576445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).