5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one

C45H29NO — CID 134576237

IUPAC5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one
SMILESO=c1c2ccccc2c2ccccc2n1-c1cccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)c1
InChIInChI=1S/C45H29NO/c47-45-41-23-9-4-17-35(41)36-18-10-11-24-42(36)46(45)34-16-12-15-33(29-34)44-39-21-7-5-19-37(39)43(38-20-6-8-22-40(38)44)32-27-25-31(26-28-32)30-13-2-1-3-14-30/h1-29H
InChIKeyKSTHINHEDKXUCB-UHFFFAOYSA-N
MW599.73 g/mol
LogP11.45
Rot. Bonds4

About 5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one

5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one (PubChem CID 134576237) has the molecular formula C45H29NO and a molecular weight of 599.73 g/mol. Its IUPAC name is 5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one.

Molecular Properties

Compound Name5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one
PubChem CID134576237
Molecular FormulaC45H29NO
Molecular Weight599.73 g/mol
Exact Mass599.22
IUPAC Name5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one
SMILESO=c1c2ccccc2c2ccccc2n1-c1cccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)c1
InChIInChI=1S/C45H29NO/c47-45-41-23-9-4-17-35(41)36-18-10-11-24-42(36)46(45)34-16-12-15-33(29-34)44-39-21-7-5-19-37(39)43(38-20-6-8-22-40(38)44)32-27-25-31(26-28-32)30-13-2-1-3-14-30/h1-29H
InChIKeyKSTHINHEDKXUCB-UHFFFAOYSA-N
XLogP11.45
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.73
LogP ≤ 511.45
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

9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 159418617
9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 161402260
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-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158633984
2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576225
5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one
CID 86007842
2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576418
2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one
CID 134576288
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 59844627
N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59827974

Frequently Asked Questions

What is the IUPAC name of 5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one?
The IUPAC name of 5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one (CID 134576237) is 5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one.
What is the SMILES notation for 5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one?
The canonical SMILES for 5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one is O=c1c2ccccc2c2ccccc2n1-c1cccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)c1.
What is the InChIKey of 5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one?
The InChIKey is KSTHINHEDKXUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29NO/c47-45-41-23-9-4-17-35(41)36-18-10-11-24-42(36)46(45)34-16-12-15-33(29-34)44-39-21-7-5-19-37(39)43(38-20-6-8-22-40(38)44)32-27-25-31(26-28-32)30-13-2-1-3-14-30/h1-29H.
What are the key properties of 5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one?
5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one has a molecular weight of 599.73 g/mol, XLogP of 11.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one is sourced from PubChem (CID 134576237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).