2,3,6,8,9,10,11-heptadeuterio-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]imidazo[1,2-f]phenanthridine

C29H30N2 — CID 58224156

About 2,3,6,8,9,10,11-heptadeuterio-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]imidazo[1,2-f]phenanthridine

2,3,6,8,9,10,11-heptadeuterio-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]imidazo[1,2-f]phenanthridine (PubChem CID 58224156) has the molecular formula C29H30N2 and a molecular weight of 435.75 g/mol. Its IUPAC name is 2,3,6,8,9,10,11-heptadeuterio-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]imidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 2,3,6,8,9,10,11-heptadeuterio-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]imidazo[1,2-f]phenanthridine
• PubChem CID: 58224156
• Molecular Formula: C29H30N2
• Molecular Weight: 435.75 g/mol
• Exact Mass: 435.42
• IUPAC Name: 2,3,6,8,9,10,11-heptadeuterio-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]imidazo[1,2-f]phenanthridine
• SMILES: [2H]c1cc2c(c([2H])c1[2H])c1c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c(-c3c([2H])c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c3[2H])c1n1c([2H])c([2H])nc21
• InChI: InChI=1S/C29H30N2/c1-28(2,3)20-13-11-19(12-14-20)24-17-21(29(4,5)6)18-25-22-9-7-8-10-23(22)27-30-15-16-31(27)26(24)25/h7-18H,1-6H3/i1D3,2D3,3D3,4D3,5D3,6D3,7D,8D,9D,11D,12D,13D,14D,15D,16D,17D,18D
• InChIKey: KPEBTIUYAFJIFK-SSGSQFDMSA-N
• XLogP: 7.90
• TPSA: 17.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.75
LogP ≤ 5	7.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3,6,8,9,10,11-heptadeuterio-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]imidazo[1,2-f]phenanthridine?

The IUPAC name of 2,3,6,8,9,10,11-heptadeuterio-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]imidazo[1,2-f]phenanthridine (CID 58224156) is 2,3,6,8,9,10,11-heptadeuterio-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]imidazo[1,2-f]phenanthridine.

What is the SMILES notation for 2,3,6,8,9,10,11-heptadeuterio-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]imidazo[1,2-f]phenanthridine?

The canonical SMILES for 2,3,6,8,9,10,11-heptadeuterio-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]imidazo[1,2-f]phenanthridine is [2H]c1cc2c(c([2H])c1[2H])c1c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c(-c3c([2H])c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c3[2H])c1n1c([2H])c([2H])nc21.

What is the InChIKey of 2,3,6,8,9,10,11-heptadeuterio-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]imidazo[1,2-f]phenanthridine?

The InChIKey is KPEBTIUYAFJIFK-SSGSQFDMSA-N. The full InChI is InChI=1S/C29H30N2/c1-28(2,3)20-13-11-19(12-14-20)24-17-21(29(4,5)6)18-25-22-9-7-8-10-23(22)27-30-15-16-31(27)26(24)25/h7-18H,1-6H3/i1D3,2D3,3D3,4D3,5D3,6D3,7D,8D,9D,11D,12D,13D,14D,15D,16D,17D,18D.

What are the key properties of 2,3,6,8,9,10,11-heptadeuterio-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]imidazo[1,2-f]phenanthridine?

2,3,6,8,9,10,11-heptadeuterio-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]imidazo[1,2-f]phenanthridine has a molecular weight of 435.75 g/mol, XLogP of 7.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,6,8,9,10,11-heptadeuterio-7-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 58224156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).