1-(4-phenylphenyl)fluoreno[2,1-f]isoquinolin-11-one

C32H19NO — CID 171734652

IUPAC1-(4-phenylphenyl)fluoreno[2,1-f]isoquinolin-11-one
SMILESO=C1c2ccccc2-c2ccc3c(ccc4c(-c5ccc(-c6ccccc6)cc5)nccc43)c21
InChIInChI=1S/C32H19NO/c34-32-29-9-5-4-8-23(29)26-15-14-24-25-18-19-33-31(28(25)17-16-27(24)30(26)32)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-19H
InChIKeyVRMQSLFGKJCZRJ-UHFFFAOYSA-N
MW433.51 g/mol
LogP7.93
Rot. Bonds2

About 1-(4-phenylphenyl)fluoreno[2,1-f]isoquinolin-11-one

1-(4-phenylphenyl)fluoreno[2,1-f]isoquinolin-11-one (PubChem CID 171734652) has the molecular formula C32H19NO and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-(4-phenylphenyl)fluoreno[2,1-f]isoquinolin-11-one.

Molecular Properties

Compound Name1-(4-phenylphenyl)fluoreno[2,1-f]isoquinolin-11-one
PubChem CID171734652
Molecular FormulaC32H19NO
Molecular Weight433.51 g/mol
Exact Mass433.15
IUPAC Name1-(4-phenylphenyl)fluoreno[2,1-f]isoquinolin-11-one
SMILESO=C1c2ccccc2-c2ccc3c(ccc4c(-c5ccc(-c6ccccc6)cc5)nccc43)c21
InChIInChI=1S/C32H19NO/c34-32-29-9-5-4-8-23(29)26-15-14-24-25-18-19-33-31(28(25)17-16-27(24)30(26)32)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-19H
InChIKeyVRMQSLFGKJCZRJ-UHFFFAOYSA-N
XLogP7.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 57.93
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

5-phenylindeno[1,2-c]isoquinolin-11-one
CID 154625535
11,11-dimethyl-1-phenylfluoreno[2,1-f]isoquinoline
CID 171734741
1-(4-chlorophenyl)benzo[g]isoquinoline-5,10-dione
CID 50994722
phenanthro[9,10-g]quinoline-9,14-dione
CID 71437214
9-tert-butyl-4-(4-phenylphenyl)benzo[f]isoquinoline
CID 118566740
1-chloroindeno[2,1-c]pyridin-9-one
CID 53485893
8-methyl-1-phenylnaphtho[2,1-f]isoquinoline
CID 118595090
2-phenyl-3-[2-[2-(2-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 58947757
iridium;7-phenyl-4-phenylbenzo[f]isoquinoline
CID 59470319
2-hydroxy-1-phenylfluoren-9-one
CID 162516784
4-(4-anthracen-9-ylphenyl)benzo[f]isoquinoline
CID 157309790
1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline
CID 144968144

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)fluoreno[2,1-f]isoquinolin-11-one?
The IUPAC name of 1-(4-phenylphenyl)fluoreno[2,1-f]isoquinolin-11-one (CID 171734652) is 1-(4-phenylphenyl)fluoreno[2,1-f]isoquinolin-11-one.
What is the SMILES notation for 1-(4-phenylphenyl)fluoreno[2,1-f]isoquinolin-11-one?
The canonical SMILES for 1-(4-phenylphenyl)fluoreno[2,1-f]isoquinolin-11-one is O=C1c2ccccc2-c2ccc3c(ccc4c(-c5ccc(-c6ccccc6)cc5)nccc43)c21.
What is the InChIKey of 1-(4-phenylphenyl)fluoreno[2,1-f]isoquinolin-11-one?
The InChIKey is VRMQSLFGKJCZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NO/c34-32-29-9-5-4-8-23(29)26-15-14-24-25-18-19-33-31(28(25)17-16-27(24)30(26)32)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-19H.
What are the key properties of 1-(4-phenylphenyl)fluoreno[2,1-f]isoquinolin-11-one?
1-(4-phenylphenyl)fluoreno[2,1-f]isoquinolin-11-one has a molecular weight of 433.51 g/mol, XLogP of 7.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)fluoreno[2,1-f]isoquinolin-11-one is sourced from PubChem (CID 171734652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).