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

C40H30F2 — CID 102433970

IUPAC2,2-bis(4-fluorophenyl)-3,3-bis(4-methylphenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene
SMILESCc1ccc(C2(c3ccc(C)cc3)c3ccc4c5c(ccc(c35)C2(c2ccc(F)cc2)c2ccc(F)cc2)CC4)cc1
InChIInChI=1S/C40H30F2/c1-25-3-11-29(12-4-25)39(30-13-5-26(2)6-14-30)35-23-9-27-7-8-28-10-24-36(38(35)37(27)28)40(39,31-15-19-33(41)20-16-31)32-17-21-34(42)22-18-32/h3-6,9-24H,7-8H2,1-2H3
InChIKeyVPYJCSLHDKMBSV-UHFFFAOYSA-N
MW548.68 g/mol
LogP9.52
Rot. Bonds4

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

2,2-bis(4-fluorophenyl)-3,3-bis(4-methylphenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene (PubChem CID 102433970) has the molecular formula C40H30F2 and a molecular weight of 548.68 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-3,3-bis(4-methylphenyl)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-fluorophenyl)-3,3-bis(4-methylphenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene
PubChem CID102433970
Molecular FormulaC40H30F2
Molecular Weight548.68 g/mol
Exact Mass548.23
IUPAC Name2,2-bis(4-fluorophenyl)-3,3-bis(4-methylphenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene
SMILESCc1ccc(C2(c3ccc(C)cc3)c3ccc4c5c(ccc(c35)C2(c2ccc(F)cc2)c2ccc(F)cc2)CC4)cc1
InChIInChI=1S/C40H30F2/c1-25-3-11-29(12-4-25)39(30-13-5-26(2)6-14-30)35-23-9-27-7-8-28-10-24-36(38(35)37(27)28)40(39,31-15-19-33(41)20-16-31)32-17-21-34(42)22-18-32/h3-6,9-24H,7-8H2,1-2H3
InChIKeyVPYJCSLHDKMBSV-UHFFFAOYSA-N
XLogP9.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.68
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)-3,3-bis(4-methylphenyl)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-fluorophenyl)-3,3-bis(4-methylphenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene (CID 102433970) is 2,2-bis(4-fluorophenyl)-3,3-bis(4-methylphenyl)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-fluorophenyl)-3,3-bis(4-methylphenyl)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-fluorophenyl)-3,3-bis(4-methylphenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene is Cc1ccc(C2(c3ccc(C)cc3)c3ccc4c5c(ccc(c35)C2(c2ccc(F)cc2)c2ccc(F)cc2)CC4)cc1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-3,3-bis(4-methylphenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene?
The InChIKey is VPYJCSLHDKMBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30F2/c1-25-3-11-29(12-4-25)39(30-13-5-26(2)6-14-30)35-23-9-27-7-8-28-10-24-36(38(35)37(27)28)40(39,31-15-19-33(41)20-16-31)32-17-21-34(42)22-18-32/h3-6,9-24H,7-8H2,1-2H3.
What are the key properties of 2,2-bis(4-fluorophenyl)-3,3-bis(4-methylphenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene?
2,2-bis(4-fluorophenyl)-3,3-bis(4-methylphenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene has a molecular weight of 548.68 g/mol, XLogP of 9.52, 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-fluorophenyl)-3,3-bis(4-methylphenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(12),4(13),5,7(14),10-pentaene is sourced from PubChem (CID 102433970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).