3,3,8,8-tetramethyl-1-phenyl-6-(1-phenyltetrazol-5-yl)oxy-4,9-dihydrofuro[2,3-h]isoquinoline

C28H27N5O2 — CID 22343835

About 3,3,8,8-tetramethyl-1-phenyl-6-(1-phenyltetrazol-5-yl)oxy-4,9-dihydrofuro[2,3-h]isoquinoline

3,3,8,8-tetramethyl-1-phenyl-6-(1-phenyltetrazol-5-yl)oxy-4,9-dihydrofuro[2,3-h]isoquinoline (PubChem CID 22343835) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 3,3,8,8-tetramethyl-1-phenyl-6-(1-phenyltetrazol-5-yl)oxy-4,9-dihydrofuro[2,3-h]isoquinoline.

Molecular Properties

• Compound Name: 3,3,8,8-tetramethyl-1-phenyl-6-(1-phenyltetrazol-5-yl)oxy-4,9-dihydrofuro[2,3-h]isoquinoline
• PubChem CID: 22343835
• Molecular Formula: C28H27N5O2
• Molecular Weight: 465.56 g/mol
• Exact Mass: 465.22
• IUPAC Name: 3,3,8,8-tetramethyl-1-phenyl-6-(1-phenyltetrazol-5-yl)oxy-4,9-dihydrofuro[2,3-h]isoquinoline
• SMILES: CC1(C)Cc2cc(Oc3nnnn3-c3ccccc3)c3c(c2C(c2ccccc2)=N1)CC(C)(C)O3
• InChI: InChI=1S/C28H27N5O2/c1-27(2)16-19-15-22(34-26-30-31-32-33(26)20-13-9-6-10-14-20)25-21(17-28(3,4)35-25)23(19)24(29-27)18-11-7-5-8-12-18/h5-15H,16-17H2,1-4H3
• InChIKey: HKCFGEINLPCHMH-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 74.42 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.56
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,3,8,8-tetramethyl-1-phenyl-6-(1-phenyltetrazol-5-yl)oxy-4,9-dihydrofuro[2,3-h]isoquinoline?

The IUPAC name of 3,3,8,8-tetramethyl-1-phenyl-6-(1-phenyltetrazol-5-yl)oxy-4,9-dihydrofuro[2,3-h]isoquinoline (CID 22343835) is 3,3,8,8-tetramethyl-1-phenyl-6-(1-phenyltetrazol-5-yl)oxy-4,9-dihydrofuro[2,3-h]isoquinoline.

What is the SMILES notation for 3,3,8,8-tetramethyl-1-phenyl-6-(1-phenyltetrazol-5-yl)oxy-4,9-dihydrofuro[2,3-h]isoquinoline?

The canonical SMILES for 3,3,8,8-tetramethyl-1-phenyl-6-(1-phenyltetrazol-5-yl)oxy-4,9-dihydrofuro[2,3-h]isoquinoline is CC1(C)Cc2cc(Oc3nnnn3-c3ccccc3)c3c(c2C(c2ccccc2)=N1)CC(C)(C)O3.

What is the InChIKey of 3,3,8,8-tetramethyl-1-phenyl-6-(1-phenyltetrazol-5-yl)oxy-4,9-dihydrofuro[2,3-h]isoquinoline?

The InChIKey is HKCFGEINLPCHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-27(2)16-19-15-22(34-26-30-31-32-33(26)20-13-9-6-10-14-20)25-21(17-28(3,4)35-25)23(19)24(29-27)18-11-7-5-8-12-18/h5-15H,16-17H2,1-4H3.

What are the key properties of 3,3,8,8-tetramethyl-1-phenyl-6-(1-phenyltetrazol-5-yl)oxy-4,9-dihydrofuro[2,3-h]isoquinoline?

3,3,8,8-tetramethyl-1-phenyl-6-(1-phenyltetrazol-5-yl)oxy-4,9-dihydrofuro[2,3-h]isoquinoline has a molecular weight of 465.56 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,8,8-tetramethyl-1-phenyl-6-(1-phenyltetrazol-5-yl)oxy-4,9-dihydrofuro[2,3-h]isoquinoline is sourced from PubChem (CID 22343835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).