4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane

C24H26 — CID 155725158

IUPAC4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESc1ccc(C2(c3ccccc3)CC3CC2C2C4CCC(C4)C32)cc1
InChIInChI=1S/C24H26/c1-3-7-19(8-4-1)24(20-9-5-2-6-10-20)15-18-14-21(24)23-17-12-11-16(13-17)22(18)23/h1-10,16-18,21-23H,11-15H2
InChIKeyQANKTPMCPGTDPZ-UHFFFAOYSA-N
MW314.47 g/mol
LogP5.67
Rot. Bonds2

About 4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane

4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 155725158) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID155725158
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESc1ccc(C2(c3ccccc3)CC3CC2C2C4CCC(C4)C32)cc1
InChIInChI=1S/C24H26/c1-3-7-19(8-4-1)24(20-9-5-2-6-10-20)15-18-14-21(24)23-17-12-11-16(13-17)22(18)23/h1-10,16-18,21-23H,11-15H2
InChIKeyQANKTPMCPGTDPZ-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane (CID 155725158) is 4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane is c1ccc(C2(c3ccccc3)CC3CC2C2C4CCC(C4)C32)cc1.
What is the InChIKey of 4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is QANKTPMCPGTDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-3-7-19(8-4-1)24(20-9-5-2-6-10-20)15-18-14-21(24)23-17-12-11-16(13-17)22(18)23/h1-10,16-18,21-23H,11-15H2.
What are the key properties of 4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane?
4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 314.47 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 155725158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).