5-(2,3,4,5-tetraphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

C46H36 — CID 10817188

IUPAC5-(2,3,4,5-tetraphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
SMILESc1ccc(-c2cc(-c3cc4ccc3CCc3ccc(cc3)CC4)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C46H36/c1-5-13-36(14-6-1)42-32-43(41-31-35-26-25-33-21-23-34(24-22-33)27-29-37(41)30-28-35)45(39-17-9-3-10-18-39)46(40-19-11-4-12-20-40)44(42)38-15-7-2-8-16-38/h1-24,28,30-32H,25-27,29H2
InChIKeyIDRUTBKCPFURDF-UHFFFAOYSA-N
MW588.79 g/mol
LogP11.91
Rot. Bonds5

About 5-(2,3,4,5-tetraphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

5-(2,3,4,5-tetraphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene (PubChem CID 10817188) has the molecular formula C46H36 and a molecular weight of 588.79 g/mol. Its IUPAC name is 5-(2,3,4,5-tetraphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.

Molecular Properties

Compound Name5-(2,3,4,5-tetraphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
PubChem CID10817188
Molecular FormulaC46H36
Molecular Weight588.79 g/mol
Exact Mass588.28
IUPAC Name5-(2,3,4,5-tetraphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
SMILESc1ccc(-c2cc(-c3cc4ccc3CCc3ccc(cc3)CC4)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C46H36/c1-5-13-36(14-6-1)42-32-43(41-31-35-26-25-33-21-23-34(24-22-33)27-29-37(41)30-28-35)45(39-17-9-3-10-18-39)46(40-19-11-4-12-20-40)44(42)38-15-7-2-8-16-38/h1-24,28,30-32H,25-27,29H2
InChIKeyIDRUTBKCPFURDF-UHFFFAOYSA-N
XLogP11.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.79
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,5-tetraphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The IUPAC name of 5-(2,3,4,5-tetraphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene (CID 10817188) is 5-(2,3,4,5-tetraphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.
What is the SMILES notation for 5-(2,3,4,5-tetraphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The canonical SMILES for 5-(2,3,4,5-tetraphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene is c1ccc(-c2cc(-c3cc4ccc3CCc3ccc(cc3)CC4)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 5-(2,3,4,5-tetraphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The InChIKey is IDRUTBKCPFURDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36/c1-5-13-36(14-6-1)42-32-43(41-31-35-26-25-33-21-23-34(24-22-33)27-29-37(41)30-28-35)45(39-17-9-3-10-18-39)46(40-19-11-4-12-20-40)44(42)38-15-7-2-8-16-38/h1-24,28,30-32H,25-27,29H2.
What are the key properties of 5-(2,3,4,5-tetraphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
5-(2,3,4,5-tetraphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene has a molecular weight of 588.79 g/mol, XLogP of 11.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,5-tetraphenylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene is sourced from PubChem (CID 10817188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).