5-(2-fluorophenyl)-15-methyl-5-phenyl-12-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,6,8,11(16),13,18,20,22-decaene

C35H24FNO — CID 22497299

IUPAC5-(2-fluorophenyl)-15-methyl-5-phenyl-12-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,6,8,11(16),13,18,20,22-decaene
SMILESCC1C=COc2c3c(c4[nH]c5ccccc5c4c21)C1=CC(c2ccccc2)(c2ccccc2F)C=CC1=C3
InChIInChI=1S/C35H24FNO/c1-21-16-18-38-34-25-19-22-15-17-35(23-9-3-2-4-10-23,27-12-6-7-13-28(27)36)20-26(22)31(25)33-32(30(21)34)24-11-5-8-14-29(24)37-33/h2-21,37H,1H3
InChIKeyDBUNSJCRVDYNHL-UHFFFAOYSA-N
MW493.58 g/mol
LogP8.81
Rot. Bonds2

About 5-(2-fluorophenyl)-15-methyl-5-phenyl-12-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,6,8,11(16),13,18,20,22-decaene

5-(2-fluorophenyl)-15-methyl-5-phenyl-12-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,6,8,11(16),13,18,20,22-decaene (PubChem CID 22497299) has the molecular formula C35H24FNO and a molecular weight of 493.58 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-15-methyl-5-phenyl-12-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,6,8,11(16),13,18,20,22-decaene.

Molecular Properties

Compound Name5-(2-fluorophenyl)-15-methyl-5-phenyl-12-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,6,8,11(16),13,18,20,22-decaene
PubChem CID22497299
Molecular FormulaC35H24FNO
Molecular Weight493.58 g/mol
Exact Mass493.18
IUPAC Name5-(2-fluorophenyl)-15-methyl-5-phenyl-12-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,6,8,11(16),13,18,20,22-decaene
SMILESCC1C=COc2c3c(c4[nH]c5ccccc5c4c21)C1=CC(c2ccccc2)(c2ccccc2F)C=CC1=C3
InChIInChI=1S/C35H24FNO/c1-21-16-18-38-34-25-19-22-15-17-35(23-9-3-2-4-10-23,27-12-6-7-13-28(27)36)20-26(22)31(25)33-32(30(21)34)24-11-5-8-14-29(24)37-33/h2-21,37H,1H3
InChIKeyDBUNSJCRVDYNHL-UHFFFAOYSA-N
XLogP8.81
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.58
LogP ≤ 58.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(2-fluorophenyl)-15-methyl-5-phenyl-12-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,6,8,11(16),13,18,20,22-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-15-methyl-5-phenyl-12-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,6,8,11(16),13,18,20,22-decaene?
The IUPAC name of 5-(2-fluorophenyl)-15-methyl-5-phenyl-12-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,6,8,11(16),13,18,20,22-decaene (CID 22497299) is 5-(2-fluorophenyl)-15-methyl-5-phenyl-12-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,6,8,11(16),13,18,20,22-decaene.
What is the SMILES notation for 5-(2-fluorophenyl)-15-methyl-5-phenyl-12-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,6,8,11(16),13,18,20,22-decaene?
The canonical SMILES for 5-(2-fluorophenyl)-15-methyl-5-phenyl-12-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,6,8,11(16),13,18,20,22-decaene is CC1C=COc2c3c(c4[nH]c5ccccc5c4c21)C1=CC(c2ccccc2)(c2ccccc2F)C=CC1=C3.
What is the InChIKey of 5-(2-fluorophenyl)-15-methyl-5-phenyl-12-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,6,8,11(16),13,18,20,22-decaene?
The InChIKey is DBUNSJCRVDYNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24FNO/c1-21-16-18-38-34-25-19-22-15-17-35(23-9-3-2-4-10-23,27-12-6-7-13-28(27)36)20-26(22)31(25)33-32(30(21)34)24-11-5-8-14-29(24)37-33/h2-21,37H,1H3.
What are the key properties of 5-(2-fluorophenyl)-15-methyl-5-phenyl-12-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,6,8,11(16),13,18,20,22-decaene?
5-(2-fluorophenyl)-15-methyl-5-phenyl-12-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,6,8,11(16),13,18,20,22-decaene has a molecular weight of 493.58 g/mol, XLogP of 8.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-15-methyl-5-phenyl-12-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,6,8,11(16),13,18,20,22-decaene is sourced from PubChem (CID 22497299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).