3-fluoro-15,24-diphenylheptacyclo[12.10.0.02,7.08,13.015,19.016,23.020,24]tetracosa-1(14),2(7),3,5,8,10,12-heptaene

C36H29F — CID 73293536

IUPAC3-fluoro-15,24-diphenylheptacyclo[12.10.0.02,7.08,13.015,19.016,23.020,24]tetracosa-1(14),2(7),3,5,8,10,12-heptaene
SMILESFc1cccc2c1c1c(c3ccccc32)C2(c3ccccc3)C3CCC2C2CCC3C12c1ccccc1
InChIInChI=1S/C36H29F/c37-31-17-9-16-25-24-14-7-8-15-26(24)33-34(32(25)31)36(23-12-5-2-6-13-23)29-20-21-30(36)28-19-18-27(29)35(28,33)22-10-3-1-4-11-22/h1-17,27-30H,18-21H2
InChIKeyIOKUNNOXNJJCNH-UHFFFAOYSA-N
MW480.63 g/mol
LogP8.78
Rot. Bonds2

About 3-fluoro-15,24-diphenylheptacyclo[12.10.0.02,7.08,13.015,19.016,23.020,24]tetracosa-1(14),2(7),3,5,8,10,12-heptaene

3-fluoro-15,24-diphenylheptacyclo[12.10.0.02,7.08,13.015,19.016,23.020,24]tetracosa-1(14),2(7),3,5,8,10,12-heptaene (PubChem CID 73293536) has the molecular formula C36H29F and a molecular weight of 480.63 g/mol. Its IUPAC name is 3-fluoro-15,24-diphenylheptacyclo[12.10.0.02,7.08,13.015,19.016,23.020,24]tetracosa-1(14),2(7),3,5,8,10,12-heptaene.

Molecular Properties

Compound Name3-fluoro-15,24-diphenylheptacyclo[12.10.0.02,7.08,13.015,19.016,23.020,24]tetracosa-1(14),2(7),3,5,8,10,12-heptaene
PubChem CID73293536
Molecular FormulaC36H29F
Molecular Weight480.63 g/mol
Exact Mass480.23
IUPAC Name3-fluoro-15,24-diphenylheptacyclo[12.10.0.02,7.08,13.015,19.016,23.020,24]tetracosa-1(14),2(7),3,5,8,10,12-heptaene
SMILESFc1cccc2c1c1c(c3ccccc32)C2(c3ccccc3)C3CCC2C2CCC3C12c1ccccc1
InChIInChI=1S/C36H29F/c37-31-17-9-16-25-24-14-7-8-15-26(24)33-34(32(25)31)36(23-12-5-2-6-13-23)29-20-21-30(36)28-19-18-27(29)35(28,33)22-10-3-1-4-11-22/h1-17,27-30H,18-21H2
InChIKeyIOKUNNOXNJJCNH-UHFFFAOYSA-N
XLogP8.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.63
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-fluoro-15,24-diphenylheptacyclo[12.10.0.02,7.08,13.015,19.016,23.020,24]tetracosa-1(14),2(7),3,5,8,10,12-heptaene 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 3-fluoro-15,24-diphenylheptacyclo[12.10.0.02,7.08,13.015,19.016,23.020,24]tetracosa-1(14),2(7),3,5,8,10,12-heptaene?
The IUPAC name of 3-fluoro-15,24-diphenylheptacyclo[12.10.0.02,7.08,13.015,19.016,23.020,24]tetracosa-1(14),2(7),3,5,8,10,12-heptaene (CID 73293536) is 3-fluoro-15,24-diphenylheptacyclo[12.10.0.02,7.08,13.015,19.016,23.020,24]tetracosa-1(14),2(7),3,5,8,10,12-heptaene.
What is the SMILES notation for 3-fluoro-15,24-diphenylheptacyclo[12.10.0.02,7.08,13.015,19.016,23.020,24]tetracosa-1(14),2(7),3,5,8,10,12-heptaene?
The canonical SMILES for 3-fluoro-15,24-diphenylheptacyclo[12.10.0.02,7.08,13.015,19.016,23.020,24]tetracosa-1(14),2(7),3,5,8,10,12-heptaene is Fc1cccc2c1c1c(c3ccccc32)C2(c3ccccc3)C3CCC2C2CCC3C12c1ccccc1.
What is the InChIKey of 3-fluoro-15,24-diphenylheptacyclo[12.10.0.02,7.08,13.015,19.016,23.020,24]tetracosa-1(14),2(7),3,5,8,10,12-heptaene?
The InChIKey is IOKUNNOXNJJCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29F/c37-31-17-9-16-25-24-14-7-8-15-26(24)33-34(32(25)31)36(23-12-5-2-6-13-23)29-20-21-30(36)28-19-18-27(29)35(28,33)22-10-3-1-4-11-22/h1-17,27-30H,18-21H2.
What are the key properties of 3-fluoro-15,24-diphenylheptacyclo[12.10.0.02,7.08,13.015,19.016,23.020,24]tetracosa-1(14),2(7),3,5,8,10,12-heptaene?
3-fluoro-15,24-diphenylheptacyclo[12.10.0.02,7.08,13.015,19.016,23.020,24]tetracosa-1(14),2(7),3,5,8,10,12-heptaene has a molecular weight of 480.63 g/mol, XLogP of 8.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-15,24-diphenylheptacyclo[12.10.0.02,7.08,13.015,19.016,23.020,24]tetracosa-1(14),2(7),3,5,8,10,12-heptaene is sourced from PubChem (CID 73293536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).