octacyclo[14.12.1.117,24.02,7.08,29.09,14.018,23.028,30]triaconta-1(28),2,4,6,8(29),9,11,13,15,17(30),18,20,22,24,26-pentadecaene

C30H16 — CID 633170

IUPACoctacyclo[14.12.1.117,24.02,7.08,29.09,14.018,23.028,30]triaconta-1(28),2,4,6,8(29),9,11,13,15,17(30),18,20,22,24,26-pentadecaene
SMILESc1ccc2c(c1)cc1c3c4ccccc4c4cccc(c43)c3c4ccccc4c2c13
InChIInChI=1S/C30H16/c1-2-9-18-17(8-1)16-25-29-20-11-4-3-10-19(20)21-14-7-15-24(27(21)29)28-23-13-6-5-12-22(23)26(18)30(25)28/h1-16H
InChIKeyNOOAVRKJCUABPJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP8.63
Rot. Bonds

About octacyclo[14.12.1.117,24.02,7.08,29.09,14.018,23.028,30]triaconta-1(28),2,4,6,8(29),9,11,13,15,17(30),18,20,22,24,26-pentadecaene

octacyclo[14.12.1.117,24.02,7.08,29.09,14.018,23.028,30]triaconta-1(28),2,4,6,8(29),9,11,13,15,17(30),18,20,22,24,26-pentadecaene (PubChem CID 633170) has the molecular formula C30H16 and a molecular weight of 376.46 g/mol. Its IUPAC name is octacyclo[14.12.1.117,24.02,7.08,29.09,14.018,23.028,30]triaconta-1(28),2,4,6,8(29),9,11,13,15,17(30),18,20,22,24,26-pentadecaene.

Molecular Properties

Compound Nameoctacyclo[14.12.1.117,24.02,7.08,29.09,14.018,23.028,30]triaconta-1(28),2,4,6,8(29),9,11,13,15,17(30),18,20,22,24,26-pentadecaene
PubChem CID633170
Molecular FormulaC30H16
Molecular Weight376.46 g/mol
Exact Mass376.13
IUPAC Nameoctacyclo[14.12.1.117,24.02,7.08,29.09,14.018,23.028,30]triaconta-1(28),2,4,6,8(29),9,11,13,15,17(30),18,20,22,24,26-pentadecaene
SMILESc1ccc2c(c1)cc1c3c4ccccc4c4cccc(c43)c3c4ccccc4c2c13
InChIInChI=1S/C30H16/c1-2-9-18-17(8-1)16-25-29-20-11-4-3-10-19(20)21-14-7-15-24(27(21)29)28-23-13-6-5-12-22(23)26(18)30(25)28/h1-16H
InChIKeyNOOAVRKJCUABPJ-UHFFFAOYSA-N
XLogP8.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze octacyclo[14.12.1.117,24.02,7.08,29.09,14.018,23.028,30]triaconta-1(28),2,4,6,8(29),9,11,13,15,17(30),18,20,22,24,26-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of octacyclo[14.12.1.117,24.02,7.08,29.09,14.018,23.028,30]triaconta-1(28),2,4,6,8(29),9,11,13,15,17(30),18,20,22,24,26-pentadecaene?
The IUPAC name of octacyclo[14.12.1.117,24.02,7.08,29.09,14.018,23.028,30]triaconta-1(28),2,4,6,8(29),9,11,13,15,17(30),18,20,22,24,26-pentadecaene (CID 633170) is octacyclo[14.12.1.117,24.02,7.08,29.09,14.018,23.028,30]triaconta-1(28),2,4,6,8(29),9,11,13,15,17(30),18,20,22,24,26-pentadecaene.
What is the SMILES notation for octacyclo[14.12.1.117,24.02,7.08,29.09,14.018,23.028,30]triaconta-1(28),2,4,6,8(29),9,11,13,15,17(30),18,20,22,24,26-pentadecaene?
The canonical SMILES for octacyclo[14.12.1.117,24.02,7.08,29.09,14.018,23.028,30]triaconta-1(28),2,4,6,8(29),9,11,13,15,17(30),18,20,22,24,26-pentadecaene is c1ccc2c(c1)cc1c3c4ccccc4c4cccc(c43)c3c4ccccc4c2c13.
What is the InChIKey of octacyclo[14.12.1.117,24.02,7.08,29.09,14.018,23.028,30]triaconta-1(28),2,4,6,8(29),9,11,13,15,17(30),18,20,22,24,26-pentadecaene?
The InChIKey is NOOAVRKJCUABPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16/c1-2-9-18-17(8-1)16-25-29-20-11-4-3-10-19(20)21-14-7-15-24(27(21)29)28-23-13-6-5-12-22(23)26(18)30(25)28/h1-16H.
What are the key properties of octacyclo[14.12.1.117,24.02,7.08,29.09,14.018,23.028,30]triaconta-1(28),2,4,6,8(29),9,11,13,15,17(30),18,20,22,24,26-pentadecaene?
octacyclo[14.12.1.117,24.02,7.08,29.09,14.018,23.028,30]triaconta-1(28),2,4,6,8(29),9,11,13,15,17(30),18,20,22,24,26-pentadecaene has a molecular weight of 376.46 g/mol, XLogP of 8.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octacyclo[14.12.1.117,24.02,7.08,29.09,14.018,23.028,30]triaconta-1(28),2,4,6,8(29),9,11,13,15,17(30),18,20,22,24,26-pentadecaene is sourced from PubChem (CID 633170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).