2',7'-difluoro-17-phenylspiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one

C44H23F2NO — CID 118343920

IUPAC2',7'-difluoro-17-phenylspiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one
SMILESO=c1c2ccccc2c2cc(-c3ccccc3)cc3c4ccc5c(c4n1c23)-c1ccccc1C51c2cc(F)ccc2-c2ccc(F)cc21
InChIInChI=1S/C44H23F2NO/c45-26-14-16-29-30-17-15-27(46)23-39(30)44(38(29)22-26)36-13-7-6-12-33(36)40-37(44)19-18-31-35-21-25(24-8-2-1-3-9-24)20-34-28-10-4-5-11-32(28)43(48)47(41(34)35)42(31)40/h1-23H
InChIKeyUGMLPVIMSYQQOA-UHFFFAOYSA-N
MW619.67 g/mol
LogP10.49
Rot. Bonds1

About 2',7'-difluoro-17-phenylspiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one

2',7'-difluoro-17-phenylspiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one (PubChem CID 118343920) has the molecular formula C44H23F2NO and a molecular weight of 619.67 g/mol. Its IUPAC name is 2',7'-difluoro-17-phenylspiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one.

Molecular Properties

Compound Name2',7'-difluoro-17-phenylspiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one
PubChem CID118343920
Molecular FormulaC44H23F2NO
Molecular Weight619.67 g/mol
Exact Mass619.17
IUPAC Name2',7'-difluoro-17-phenylspiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one
SMILESO=c1c2ccccc2c2cc(-c3ccccc3)cc3c4ccc5c(c4n1c23)-c1ccccc1C51c2cc(F)ccc2-c2ccc(F)cc21
InChIInChI=1S/C44H23F2NO/c45-26-14-16-29-30-17-15-27(46)23-39(30)44(38(29)22-26)36-13-7-6-12-33(36)40-37(44)19-18-31-35-21-25(24-8-2-1-3-9-24)20-34-28-10-4-5-11-32(28)43(48)47(41(34)35)42(31)40/h1-23H
InChIKeyUGMLPVIMSYQQOA-UHFFFAOYSA-N
XLogP10.49
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.67
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2',7'-difluoro-17-phenylspiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2',7'-difluoro-17-phenylspiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one?
The IUPAC name of 2',7'-difluoro-17-phenylspiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one (CID 118343920) is 2',7'-difluoro-17-phenylspiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one.
What is the SMILES notation for 2',7'-difluoro-17-phenylspiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one?
The canonical SMILES for 2',7'-difluoro-17-phenylspiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one is O=c1c2ccccc2c2cc(-c3ccccc3)cc3c4ccc5c(c4n1c23)-c1ccccc1C51c2cc(F)ccc2-c2ccc(F)cc21.
What is the InChIKey of 2',7'-difluoro-17-phenylspiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one?
The InChIKey is UGMLPVIMSYQQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H23F2NO/c45-26-14-16-29-30-17-15-27(46)23-39(30)44(38(29)22-26)36-13-7-6-12-33(36)40-37(44)19-18-31-35-21-25(24-8-2-1-3-9-24)20-34-28-10-4-5-11-32(28)43(48)47(41(34)35)42(31)40/h1-23H.
What are the key properties of 2',7'-difluoro-17-phenylspiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one?
2',7'-difluoro-17-phenylspiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one has a molecular weight of 619.67 g/mol, XLogP of 10.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-difluoro-17-phenylspiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one is sourced from PubChem (CID 118343920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).