5-[1,3,3-tri(cyclohexa-2,4-dien-1-yl)cyclopentyl]cyclohexa-1,3-diene

C29H34 — CID 173375815

IUPAC5-[1,3,3-tri(cyclohexa-2,4-dien-1-yl)cyclopentyl]cyclohexa-1,3-diene
SMILESC1=CCC(C2(C3C=CC=CC3)CCC(C3C=CC=CC3)(C3C=CC=CC3)C2)C=C1
InChIInChI=1S/C29H34/c1-5-13-24(14-6-1)28(25-15-7-2-8-16-25)21-22-29(23-28,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-13,15,17,19,24-27H,14,16,18,20-23H2
InChIKeyKPOOADKKSRNZIG-UHFFFAOYSA-N
MW382.59 g/mol
LogP7.67
Rot. Bonds4

About 5-[1,3,3-tri(cyclohexa-2,4-dien-1-yl)cyclopentyl]cyclohexa-1,3-diene

5-[1,3,3-tri(cyclohexa-2,4-dien-1-yl)cyclopentyl]cyclohexa-1,3-diene (PubChem CID 173375815) has the molecular formula C29H34 and a molecular weight of 382.59 g/mol. Its IUPAC name is 5-[1,3,3-tri(cyclohexa-2,4-dien-1-yl)cyclopentyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[1,3,3-tri(cyclohexa-2,4-dien-1-yl)cyclopentyl]cyclohexa-1,3-diene
PubChem CID173375815
Molecular FormulaC29H34
Molecular Weight382.59 g/mol
Exact Mass382.27
IUPAC Name5-[1,3,3-tri(cyclohexa-2,4-dien-1-yl)cyclopentyl]cyclohexa-1,3-diene
SMILESC1=CCC(C2(C3C=CC=CC3)CCC(C3C=CC=CC3)(C3C=CC=CC3)C2)C=C1
InChIInChI=1S/C29H34/c1-5-13-24(14-6-1)28(25-15-7-2-8-16-25)21-22-29(23-28,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-13,15,17,19,24-27H,14,16,18,20-23H2
InChIKeyKPOOADKKSRNZIG-UHFFFAOYSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-[1,3,3-tri(cyclohexa-2,4-dien-1-yl)cyclopentyl]cyclohexa-1,3-diene?
The IUPAC name of 5-[1,3,3-tri(cyclohexa-2,4-dien-1-yl)cyclopentyl]cyclohexa-1,3-diene (CID 173375815) is 5-[1,3,3-tri(cyclohexa-2,4-dien-1-yl)cyclopentyl]cyclohexa-1,3-diene.
What is the SMILES notation for 5-[1,3,3-tri(cyclohexa-2,4-dien-1-yl)cyclopentyl]cyclohexa-1,3-diene?
The canonical SMILES for 5-[1,3,3-tri(cyclohexa-2,4-dien-1-yl)cyclopentyl]cyclohexa-1,3-diene is C1=CCC(C2(C3C=CC=CC3)CCC(C3C=CC=CC3)(C3C=CC=CC3)C2)C=C1.
What is the InChIKey of 5-[1,3,3-tri(cyclohexa-2,4-dien-1-yl)cyclopentyl]cyclohexa-1,3-diene?
The InChIKey is KPOOADKKSRNZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34/c1-5-13-24(14-6-1)28(25-15-7-2-8-16-25)21-22-29(23-28,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-13,15,17,19,24-27H,14,16,18,20-23H2.
What are the key properties of 5-[1,3,3-tri(cyclohexa-2,4-dien-1-yl)cyclopentyl]cyclohexa-1,3-diene?
5-[1,3,3-tri(cyclohexa-2,4-dien-1-yl)cyclopentyl]cyclohexa-1,3-diene has a molecular weight of 382.59 g/mol, XLogP of 7.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,3,3-tri(cyclohexa-2,4-dien-1-yl)cyclopentyl]cyclohexa-1,3-diene is sourced from PubChem (CID 173375815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).