pentacyclo[10.7.1.02,7.02,11.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaene

C20H14 — CID 53431217

IUPACpentacyclo[10.7.1.02,7.02,11.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaene
SMILESC1=CCC23C(=C1)C=CC=C2c1cccc2cccc3c12
InChIInChI=1S/C20H14/c1-2-13-20-15(8-1)9-5-11-17(20)16-10-3-6-14-7-4-12-18(20)19(14)16/h1-12H,13H2
InChIKeyMABHEJQYIXIBRP-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.93
Rot. Bonds

About pentacyclo[10.7.1.02,7.02,11.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaene

pentacyclo[10.7.1.02,7.02,11.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaene (PubChem CID 53431217) has the molecular formula C20H14 and a molecular weight of 254.33 g/mol. Its IUPAC name is pentacyclo[10.7.1.02,7.02,11.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaene.

Molecular Properties

Compound Namepentacyclo[10.7.1.02,7.02,11.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaene
PubChem CID53431217
Molecular FormulaC20H14
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Namepentacyclo[10.7.1.02,7.02,11.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaene
SMILESC1=CCC23C(=C1)C=CC=C2c1cccc2cccc3c12
InChIInChI=1S/C20H14/c1-2-13-20-15(8-1)9-5-11-17(20)16-10-3-6-14-7-4-12-18(20)19(14)16/h1-12H,13H2
InChIKeyMABHEJQYIXIBRP-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze pentacyclo[10.7.1.02,7.02,11.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pentacyclo[10.7.1.02,7.02,11.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaene?
The IUPAC name of pentacyclo[10.7.1.02,7.02,11.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaene (CID 53431217) is pentacyclo[10.7.1.02,7.02,11.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaene.
What is the SMILES notation for pentacyclo[10.7.1.02,7.02,11.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaene?
The canonical SMILES for pentacyclo[10.7.1.02,7.02,11.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaene is C1=CCC23C(=C1)C=CC=C2c1cccc2cccc3c12.
What is the InChIKey of pentacyclo[10.7.1.02,7.02,11.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaene?
The InChIKey is MABHEJQYIXIBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14/c1-2-13-20-15(8-1)9-5-11-17(20)16-10-3-6-14-7-4-12-18(20)19(14)16/h1-12H,13H2.
What are the key properties of pentacyclo[10.7.1.02,7.02,11.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaene?
pentacyclo[10.7.1.02,7.02,11.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaene has a molecular weight of 254.33 g/mol, XLogP of 4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[10.7.1.02,7.02,11.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaene is sourced from PubChem (CID 53431217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).