2,2-bis(4-chlorophenyl)-3,3-bis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene

C38H24Cl2F2 — CID 102433969

IUPAC2,2-bis(4-chlorophenyl)-3,3-bis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene
SMILESFc1ccc(C2(c3ccc(F)cc3)c3ccc4c5c(ccc(c35)C2(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC4)cc1
InChIInChI=1S/C38H24Cl2F2/c39-29-13-5-25(6-14-29)37(26-7-15-30(40)16-8-26)33-21-3-23-1-2-24-4-22-34(36(33)35(23)24)38(37,27-9-17-31(41)18-10-27)28-11-19-32(42)20-12-28/h3-22H,1-2H2
InChIKeyUAXDRKLXKHJGML-UHFFFAOYSA-N
MW589.51 g/mol
LogP10.21
Rot. Bonds4

About 2,2-bis(4-chlorophenyl)-3,3-bis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene

2,2-bis(4-chlorophenyl)-3,3-bis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene (PubChem CID 102433969) has the molecular formula C38H24Cl2F2 and a molecular weight of 589.51 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenyl)-3,3-bis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene.

Molecular Properties

Compound Name2,2-bis(4-chlorophenyl)-3,3-bis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene
PubChem CID102433969
Molecular FormulaC38H24Cl2F2
Molecular Weight589.51 g/mol
Exact Mass588.12
IUPAC Name2,2-bis(4-chlorophenyl)-3,3-bis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene
SMILESFc1ccc(C2(c3ccc(F)cc3)c3ccc4c5c(ccc(c35)C2(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC4)cc1
InChIInChI=1S/C38H24Cl2F2/c39-29-13-5-25(6-14-29)37(26-7-15-30(40)16-8-26)33-21-3-23-1-2-24-4-22-34(36(33)35(23)24)38(37,27-9-17-31(41)18-10-27)28-11-19-32(42)20-12-28/h3-22H,1-2H2
InChIKeyUAXDRKLXKHJGML-UHFFFAOYSA-N
XLogP10.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.51
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2-bis(4-chlorophenyl)-3,3-bis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene with MolForge

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

Launch Full Analysis

Related Compounds

CID 126543659
CID 126543659
CID 101415282
CID 101415282
CID 102277148
CID 102277148
CID 102433970
CID 102433970
CID 134942678
CID 134942678
CID 139192185
CID 139192185
CID 162406460
CID 162406460
CID 11295859
CID 11295859
CID 132838164
CID 132838164
CID 21885612
CID 21885612
CID 22044619
CID 22044619
CID 22044778
CID 22044778

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chlorophenyl)-3,3-bis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene?
The IUPAC name of 2,2-bis(4-chlorophenyl)-3,3-bis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene (CID 102433969) is 2,2-bis(4-chlorophenyl)-3,3-bis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene.
What is the SMILES notation for 2,2-bis(4-chlorophenyl)-3,3-bis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene?
The canonical SMILES for 2,2-bis(4-chlorophenyl)-3,3-bis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene is Fc1ccc(C2(c3ccc(F)cc3)c3ccc4c5c(ccc(c35)C2(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC4)cc1.
What is the InChIKey of 2,2-bis(4-chlorophenyl)-3,3-bis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene?
The InChIKey is UAXDRKLXKHJGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24Cl2F2/c39-29-13-5-25(6-14-29)37(26-7-15-30(40)16-8-26)33-21-3-23-1-2-24-4-22-34(36(33)35(23)24)38(37,27-9-17-31(41)18-10-27)28-11-19-32(42)20-12-28/h3-22H,1-2H2.
What are the key properties of 2,2-bis(4-chlorophenyl)-3,3-bis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene?
2,2-bis(4-chlorophenyl)-3,3-bis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene has a molecular weight of 589.51 g/mol, XLogP of 10.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenyl)-3,3-bis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene is sourced from PubChem (CID 102433969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).