pentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene

C26H24 — CID 12582397

IUPACpentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene
SMILESc1ccc2c3ccc(c2c1)CCCc1ccc(c2ccccc12)CCC3
InChIInChI=1S/C26H24/c1-2-12-24-20-8-6-10-22-18-17-21(25-13-3-4-14-26(22)25)9-5-7-19(15-16-20)23(24)11-1/h1-4,11-18H,5-10H2
InChIKeyJFLQZYLPNDJBQX-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.66
Rot. Bonds

About pentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene

pentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene (PubChem CID 12582397) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is pentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene.

Molecular Properties

Compound Namepentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene
PubChem CID12582397
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Namepentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene
SMILESc1ccc2c3ccc(c2c1)CCCc1ccc(c2ccccc12)CCC3
InChIInChI=1S/C26H24/c1-2-12-24-20-8-6-10-22-18-17-21(25-13-3-4-14-26(22)25)9-5-7-19(15-16-20)23(24)11-1/h1-4,11-18H,5-10H2
InChIKeyJFLQZYLPNDJBQX-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene?
The IUPAC name of pentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene (CID 12582397) is pentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene.
What is the SMILES notation for pentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene?
The canonical SMILES for pentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene is c1ccc2c3ccc(c2c1)CCCc1ccc(c2ccccc12)CCC3.
What is the InChIKey of pentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene?
The InChIKey is JFLQZYLPNDJBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24/c1-2-12-24-20-8-6-10-22-18-17-21(25-13-3-4-14-26(22)25)9-5-7-19(15-16-20)23(24)11-1/h1-4,11-18H,5-10H2.
What are the key properties of pentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene?
pentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene has a molecular weight of 336.48 g/mol, XLogP of 6.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[14.6.2.25,12.06,11.017,22]hexacosa-1(23),5(26),6,8,10,12(25),16(24),17,19,21-decaene is sourced from PubChem (CID 12582397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).