nonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene

C35H20 — CID 173159770

IUPACnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene
SMILESC1=c2ccccc2=c2ccc3c4c(ccc3c21)=c1ccc2c3c(ccc2c1C4)=c1ccccc1=C3
InChIInChI=1S/C35H20/c1-3-7-22-20(5-1)17-32-24(22)9-11-28-26(32)13-15-30-31-16-14-27-29(35(31)19-34(28)30)12-10-25-23-8-4-2-6-21(23)18-33(25)27/h1-18H,19H2
InChIKeyVLFVDSSLZKQSAX-UHFFFAOYSA-N
MW440.55 g/mol
LogP6.04
Rot. Bonds

About nonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene

nonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene (PubChem CID 173159770) has the molecular formula C35H20 and a molecular weight of 440.55 g/mol. Its IUPAC name is nonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene.

Molecular Properties

Compound Namenonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene
PubChem CID173159770
Molecular FormulaC35H20
Molecular Weight440.55 g/mol
Exact Mass440.16
IUPAC Namenonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene
SMILESC1=c2ccccc2=c2ccc3c4c(ccc3c21)=c1ccc2c3c(ccc2c1C4)=c1ccccc1=C3
InChIInChI=1S/C35H20/c1-3-7-22-20(5-1)17-32-24(22)9-11-28-26(32)13-15-30-31-16-14-27-29(35(31)19-34(28)30)12-10-25-23-8-4-2-6-21(23)18-33(25)27/h1-18H,19H2
InChIKeyVLFVDSSLZKQSAX-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze nonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of nonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene?
The IUPAC name of nonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene (CID 173159770) is nonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene.
What is the SMILES notation for nonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene?
The canonical SMILES for nonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene is C1=c2ccccc2=c2ccc3c4c(ccc3c21)=c1ccc2c3c(ccc2c1C4)=c1ccccc1=C3.
What is the InChIKey of nonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene?
The InChIKey is VLFVDSSLZKQSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20/c1-3-7-22-20(5-1)17-32-24(22)9-11-28-26(32)13-15-30-31-16-14-27-29(35(31)19-34(28)30)12-10-25-23-8-4-2-6-21(23)18-33(25)27/h1-18H,19H2.
What are the key properties of nonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene?
nonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene has a molecular weight of 440.55 g/mol, XLogP of 6.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1,3,5,7,9,11,13,15,17,20,22,24,26,28,30,32,34-heptadecaene is sourced from PubChem (CID 173159770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).