16,16-dimethyl-5,12-dinaphthalen-2-ylheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene

C51H34 — CID 171742798

About 16,16-dimethyl-5,12-dinaphthalen-2-ylheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene

16,16-dimethyl-5,12-dinaphthalen-2-ylheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene (PubChem CID 171742798) has the molecular formula C51H34 and a molecular weight of 646.83 g/mol. Its IUPAC name is 16,16-dimethyl-5,12-dinaphthalen-2-ylheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 16,16-dimethyl-5,12-dinaphthalen-2-ylheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene
• PubChem CID: 171742798
• Molecular Formula: C51H34
• Molecular Weight: 646.83 g/mol
• Exact Mass: 646.27
• IUPAC Name: 16,16-dimethyl-5,12-dinaphthalen-2-ylheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene
• SMILES: CC1(C)c2c(c3ccccc3c3ccccc23)-c2c1c1cc(-c3ccc4ccccc4c3)ccc1c1ccc(-c3ccc4ccccc4c3)cc21
• InChI: InChI=1S/C51H34/c1-51(2)49-44-18-10-8-16-40(44)39-15-7-9-17-43(39)47(49)48-45-29-37(35-21-19-31-11-3-5-13-33(31)27-35)23-25-41(45)42-26-24-38(30-46(42)50(48)51)36-22-20-32-12-4-6-14-34(32)28-36/h3-30H,1-2H3
• InChIKey: NXDVFWJTRXKYHO-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.83
LogP ≤ 5	14.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 16,16-dimethyl-5,12-dinaphthalen-2-ylheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene?

The IUPAC name of 16,16-dimethyl-5,12-dinaphthalen-2-ylheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene (CID 171742798) is 16,16-dimethyl-5,12-dinaphthalen-2-ylheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene.

What is the SMILES notation for 16,16-dimethyl-5,12-dinaphthalen-2-ylheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene?

The canonical SMILES for 16,16-dimethyl-5,12-dinaphthalen-2-ylheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene is CC1(C)c2c(c3ccccc3c3ccccc23)-c2c1c1cc(-c3ccc4ccccc4c3)ccc1c1ccc(-c3ccc4ccccc4c3)cc21.

What is the InChIKey of 16,16-dimethyl-5,12-dinaphthalen-2-ylheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene?

The InChIKey is NXDVFWJTRXKYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34/c1-51(2)49-44-18-10-8-16-40(44)39-15-7-9-17-43(39)47(49)48-45-29-37(35-21-19-31-11-3-5-13-33(31)27-35)23-25-41(45)42-26-24-38(30-46(42)50(48)51)36-22-20-32-12-4-6-14-34(32)28-36/h3-30H,1-2H3.

What are the key properties of 16,16-dimethyl-5,12-dinaphthalen-2-ylheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene?

16,16-dimethyl-5,12-dinaphthalen-2-ylheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene has a molecular weight of 646.83 g/mol, XLogP of 14.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 16,16-dimethyl-5,12-dinaphthalen-2-ylheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 171742798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).