heptacyclo[16.12.0.03,16.05,14.06,11.020,29.022,27]triaconta-1(30),2,4,6(11),12,14,16,18,20,22,24,26,28-tridecaene

C30H22 — CID 20823197

IUPACheptacyclo[16.12.0.03,16.05,14.06,11.020,29.022,27]triaconta-1(30),2,4,6(11),12,14,16,18,20,22,24,26,28-tridecaene
SMILESc1ccc2cc3cc4cc5cc6c7c(ccc6cc5cc4cc3cc2c1)CCCC7
InChIInChI=1S/C30H22/c1-2-7-21-12-24-15-27-17-28-18-30-22(10-9-19-5-3-4-8-29(19)30)13-25(28)16-26(27)14-23(24)11-20(21)6-1/h1-2,6-7,9-18H,3-5,8H2
InChIKeyRAIVPCBEDQEMKO-UHFFFAOYSA-N
MW382.51 g/mol
LogP8.33
Rot. Bonds

About heptacyclo[16.12.0.03,16.05,14.06,11.020,29.022,27]triaconta-1(30),2,4,6(11),12,14,16,18,20,22,24,26,28-tridecaene

heptacyclo[16.12.0.03,16.05,14.06,11.020,29.022,27]triaconta-1(30),2,4,6(11),12,14,16,18,20,22,24,26,28-tridecaene (PubChem CID 20823197) has the molecular formula C30H22 and a molecular weight of 382.51 g/mol. Its IUPAC name is heptacyclo[16.12.0.03,16.05,14.06,11.020,29.022,27]triaconta-1(30),2,4,6(11),12,14,16,18,20,22,24,26,28-tridecaene.

Molecular Properties

Compound Nameheptacyclo[16.12.0.03,16.05,14.06,11.020,29.022,27]triaconta-1(30),2,4,6(11),12,14,16,18,20,22,24,26,28-tridecaene
PubChem CID20823197
Molecular FormulaC30H22
Molecular Weight382.51 g/mol
Exact Mass382.17
IUPAC Nameheptacyclo[16.12.0.03,16.05,14.06,11.020,29.022,27]triaconta-1(30),2,4,6(11),12,14,16,18,20,22,24,26,28-tridecaene
SMILESc1ccc2cc3cc4cc5cc6c7c(ccc6cc5cc4cc3cc2c1)CCCC7
InChIInChI=1S/C30H22/c1-2-7-21-12-24-15-27-17-28-18-30-22(10-9-19-5-3-4-8-29(19)30)13-25(28)16-26(27)14-23(24)11-20(21)6-1/h1-2,6-7,9-18H,3-5,8H2
InChIKeyRAIVPCBEDQEMKO-UHFFFAOYSA-N
XLogP8.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze heptacyclo[16.12.0.03,16.05,14.06,11.020,29.022,27]triaconta-1(30),2,4,6(11),12,14,16,18,20,22,24,26,28-tridecaene 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 heptacyclo[16.12.0.03,16.05,14.06,11.020,29.022,27]triaconta-1(30),2,4,6(11),12,14,16,18,20,22,24,26,28-tridecaene?
The IUPAC name of heptacyclo[16.12.0.03,16.05,14.06,11.020,29.022,27]triaconta-1(30),2,4,6(11),12,14,16,18,20,22,24,26,28-tridecaene (CID 20823197) is heptacyclo[16.12.0.03,16.05,14.06,11.020,29.022,27]triaconta-1(30),2,4,6(11),12,14,16,18,20,22,24,26,28-tridecaene.
What is the SMILES notation for heptacyclo[16.12.0.03,16.05,14.06,11.020,29.022,27]triaconta-1(30),2,4,6(11),12,14,16,18,20,22,24,26,28-tridecaene?
The canonical SMILES for heptacyclo[16.12.0.03,16.05,14.06,11.020,29.022,27]triaconta-1(30),2,4,6(11),12,14,16,18,20,22,24,26,28-tridecaene is c1ccc2cc3cc4cc5cc6c7c(ccc6cc5cc4cc3cc2c1)CCCC7.
What is the InChIKey of heptacyclo[16.12.0.03,16.05,14.06,11.020,29.022,27]triaconta-1(30),2,4,6(11),12,14,16,18,20,22,24,26,28-tridecaene?
The InChIKey is RAIVPCBEDQEMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22/c1-2-7-21-12-24-15-27-17-28-18-30-22(10-9-19-5-3-4-8-29(19)30)13-25(28)16-26(27)14-23(24)11-20(21)6-1/h1-2,6-7,9-18H,3-5,8H2.
What are the key properties of heptacyclo[16.12.0.03,16.05,14.06,11.020,29.022,27]triaconta-1(30),2,4,6(11),12,14,16,18,20,22,24,26,28-tridecaene?
heptacyclo[16.12.0.03,16.05,14.06,11.020,29.022,27]triaconta-1(30),2,4,6(11),12,14,16,18,20,22,24,26,28-tridecaene has a molecular weight of 382.51 g/mol, XLogP of 8.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[16.12.0.03,16.05,14.06,11.020,29.022,27]triaconta-1(30),2,4,6(11),12,14,16,18,20,22,24,26,28-tridecaene is sourced from PubChem (CID 20823197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).