tetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4(17),8,12,14-hexaene

C17H16 — CID 143151885

IUPACtetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4(17),8,12,14-hexaene
SMILESC1=C2CCc3cccc4ccc(c2c34)CCC1
InChIInChI=1S/C17H16/c1-2-5-13-9-11-15-7-3-6-14-10-8-12(4-1)16(13)17(14)15/h3-4,6-7,9,11H,1-2,5,8,10H2
InChIKeyRZLPRPASQPRBCI-UHFFFAOYSA-N
MW220.32 g/mol
LogP4.51
Rot. Bonds

About tetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4(17),8,12,14-hexaene

tetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4(17),8,12,14-hexaene (PubChem CID 143151885) has the molecular formula C17H16 and a molecular weight of 220.32 g/mol. Its IUPAC name is tetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4(17),8,12,14-hexaene.

Molecular Properties

Compound Nametetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4(17),8,12,14-hexaene
PubChem CID143151885
Molecular FormulaC17H16
Molecular Weight220.32 g/mol
Exact Mass220.13
IUPAC Nametetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4(17),8,12,14-hexaene
SMILESC1=C2CCc3cccc4ccc(c2c34)CCC1
InChIInChI=1S/C17H16/c1-2-5-13-9-11-15-7-3-6-14-10-8-12(4-1)16(13)17(14)15/h3-4,6-7,9,11H,1-2,5,8,10H2
InChIKeyRZLPRPASQPRBCI-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4(17),8,12,14-hexaene with MolForge

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Related Compounds

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CID 161018660
1,2-dihydroacenaphthylene;perylene
CID 157201241
1,2-dihydroacenaphthylene;dioxotitanium
CID 175288385
9-hydroxy-2,3-dihydrophenalen-1-one
CID 145294882
2-tert-butyl-4,5-dihydropyrene
CID 91512815
(Z)-N-[(Z)-2,3-dihydro-1H-phenanthren-4-ylideneamino]-2,3-dihydro-1H-phenanthren-4-imine
CID 6152349
1,2-dihydroacenaphthylen-3-amine;hydrobromide
CID 158935493
pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
ethane;4,5,9,10-tetrahydropyrene
CID 157285426
anthracene;1,2-dihydroacenaphthylene;perylene
CID 161092336
heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene
CID 11954527
pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5,7,9,12,14,16-nonaene
CID 3063315

Frequently Asked Questions

What is the IUPAC name of tetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4(17),8,12,14-hexaene?
The IUPAC name of tetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4(17),8,12,14-hexaene (CID 143151885) is tetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4(17),8,12,14-hexaene.
What is the SMILES notation for tetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4(17),8,12,14-hexaene?
The canonical SMILES for tetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4(17),8,12,14-hexaene is C1=C2CCc3cccc4ccc(c2c34)CCC1.
What is the InChIKey of tetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4(17),8,12,14-hexaene?
The InChIKey is RZLPRPASQPRBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-2-5-13-9-11-15-7-3-6-14-10-8-12(4-1)16(13)17(14)15/h3-4,6-7,9,11H,1-2,5,8,10H2.
What are the key properties of tetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4(17),8,12,14-hexaene?
tetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4(17),8,12,14-hexaene has a molecular weight of 220.32 g/mol, XLogP of 4.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4(17),8,12,14-hexaene is sourced from PubChem (CID 143151885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).