7-phenyl-7-[4-(7-phenyl-7-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane

C32H34 — CID 102322257

IUPAC7-phenyl-7-[4-(7-phenyl-7-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane
SMILESc1ccc(C2(c3ccc(C4(c5ccccc5)C5CCC4CC5)cc3)C3CCC2CC3)cc1
InChIInChI=1S/C32H34/c1-3-7-23(8-4-1)31(25-11-12-26(31)14-13-25)29-19-21-30(22-20-29)32(24-9-5-2-6-10-24)27-15-16-28(32)18-17-27/h1-10,19-22,25-28H,11-18H2
InChIKeyZKSSNCFROMWBIY-UHFFFAOYSA-N
MW418.62 g/mol
LogP7.90
Rot. Bonds4

About 7-phenyl-7-[4-(7-phenyl-7-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane

7-phenyl-7-[4-(7-phenyl-7-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane (PubChem CID 102322257) has the molecular formula C32H34 and a molecular weight of 418.62 g/mol. Its IUPAC name is 7-phenyl-7-[4-(7-phenyl-7-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-phenyl-7-[4-(7-phenyl-7-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane
PubChem CID102322257
Molecular FormulaC32H34
Molecular Weight418.62 g/mol
Exact Mass418.27
IUPAC Name7-phenyl-7-[4-(7-phenyl-7-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane
SMILESc1ccc(C2(c3ccc(C4(c5ccccc5)C5CCC4CC5)cc3)C3CCC2CC3)cc1
InChIInChI=1S/C32H34/c1-3-7-23(8-4-1)31(25-11-12-26(31)14-13-25)29-19-21-30(22-20-29)32(24-9-5-2-6-10-24)27-15-16-28(32)18-17-27/h1-10,19-22,25-28H,11-18H2
InChIKeyZKSSNCFROMWBIY-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.62
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-7-[4-(7-phenyl-7-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane?
The IUPAC name of 7-phenyl-7-[4-(7-phenyl-7-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane (CID 102322257) is 7-phenyl-7-[4-(7-phenyl-7-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 7-phenyl-7-[4-(7-phenyl-7-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 7-phenyl-7-[4-(7-phenyl-7-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane is c1ccc(C2(c3ccc(C4(c5ccccc5)C5CCC4CC5)cc3)C3CCC2CC3)cc1.
What is the InChIKey of 7-phenyl-7-[4-(7-phenyl-7-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane?
The InChIKey is ZKSSNCFROMWBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34/c1-3-7-23(8-4-1)31(25-11-12-26(31)14-13-25)29-19-21-30(22-20-29)32(24-9-5-2-6-10-24)27-15-16-28(32)18-17-27/h1-10,19-22,25-28H,11-18H2.
What are the key properties of 7-phenyl-7-[4-(7-phenyl-7-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane?
7-phenyl-7-[4-(7-phenyl-7-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane has a molecular weight of 418.62 g/mol, XLogP of 7.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-7-[4-(7-phenyl-7-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 102322257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).