pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),4,6,8,10,12,14,16,19-nonaene

C21H16 — CID 91462786

IUPACpentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),4,6,8,10,12,14,16,19-nonaene
SMILESC1=CC2=CC=C3C=c4cccc5c4=C(C=CC5)C3C2C=C1
InChIInChI=1S/C21H16/c1-2-9-18-14(5-1)11-12-17-13-16-8-3-6-15-7-4-10-19(20(15)16)21(17)18/h1-6,8-13,18,21H,7H2
InChIKeyUTWBBZDXELBKHF-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.97
Rot. Bonds

About pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),4,6,8,10,12,14,16,19-nonaene

pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),4,6,8,10,12,14,16,19-nonaene (PubChem CID 91462786) has the molecular formula C21H16 and a molecular weight of 268.36 g/mol. Its IUPAC name is pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),4,6,8,10,12,14,16,19-nonaene.

Molecular Properties

Compound Namepentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),4,6,8,10,12,14,16,19-nonaene
PubChem CID91462786
Molecular FormulaC21H16
Molecular Weight268.36 g/mol
Exact Mass268.13
IUPAC Namepentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),4,6,8,10,12,14,16,19-nonaene
SMILESC1=CC2=CC=C3C=c4cccc5c4=C(C=CC5)C3C2C=C1
InChIInChI=1S/C21H16/c1-2-9-18-14(5-1)11-12-17-13-16-8-3-6-15-7-4-10-19(20(15)16)21(17)18/h1-6,8-13,18,21H,7H2
InChIKeyUTWBBZDXELBKHF-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),4,6,8,10,12,14,16,19-nonaene?
The IUPAC name of pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),4,6,8,10,12,14,16,19-nonaene (CID 91462786) is pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),4,6,8,10,12,14,16,19-nonaene.
What is the SMILES notation for pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),4,6,8,10,12,14,16,19-nonaene?
The canonical SMILES for pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),4,6,8,10,12,14,16,19-nonaene is C1=CC2=CC=C3C=c4cccc5c4=C(C=CC5)C3C2C=C1.
What is the InChIKey of pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),4,6,8,10,12,14,16,19-nonaene?
The InChIKey is UTWBBZDXELBKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16/c1-2-9-18-14(5-1)11-12-17-13-16-8-3-6-15-7-4-10-19(20(15)16)21(17)18/h1-6,8-13,18,21H,7H2.
What are the key properties of pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),4,6,8,10,12,14,16,19-nonaene?
pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),4,6,8,10,12,14,16,19-nonaene has a molecular weight of 268.36 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),4,6,8,10,12,14,16,19-nonaene is sourced from PubChem (CID 91462786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).