3,5,6,10,11,12,14,15,16-nonadeuterio-4-(2-naphthalen-1-yl-5-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

C38H24O — CID 177299155

About 3,5,6,10,11,12,14,15,16-nonadeuterio-4-(2-naphthalen-1-yl-5-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

3,5,6,10,11,12,14,15,16-nonadeuterio-4-(2-naphthalen-1-yl-5-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (PubChem CID 177299155) has the molecular formula C38H24O and a molecular weight of 505.66 g/mol. Its IUPAC name is 3,5,6,10,11,12,14,15,16-nonadeuterio-4-(2-naphthalen-1-yl-5-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.

Molecular Properties

• Compound Name: 3,5,6,10,11,12,14,15,16-nonadeuterio-4-(2-naphthalen-1-yl-5-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
• PubChem CID: 177299155
• Molecular Formula: C38H24O
• Molecular Weight: 505.66 g/mol
• Exact Mass: 505.24
• IUPAC Name: 3,5,6,10,11,12,14,15,16-nonadeuterio-4-(2-naphthalen-1-yl-5-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
• SMILES: [2H]c1c([2H])c(-c2cc(-c3ccccc3)ccc2-c2cccc3ccccc23)c([2H])c2c1Oc1c([2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c-2c13
• InChI: InChI=1S/C38H24O/c1-2-9-25(10-3-1)28-19-21-32(31-16-6-12-26-11-4-5-15-30(26)31)34(23-28)29-20-22-36-35(24-29)33-17-7-13-27-14-8-18-37(39-36)38(27)33/h1-24H/i7D,8D,13D,14D,17D,18D,20D,22D,24D
• InChIKey: XSSGERFOCLGGJD-MKQGQCBUSA-N
• XLogP: 10.77
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.66
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3,5,6,10,11,12,14,15,16-nonadeuterio-4-(2-naphthalen-1-yl-5-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?

The IUPAC name of 3,5,6,10,11,12,14,15,16-nonadeuterio-4-(2-naphthalen-1-yl-5-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (CID 177299155) is 3,5,6,10,11,12,14,15,16-nonadeuterio-4-(2-naphthalen-1-yl-5-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.

What is the SMILES notation for 3,5,6,10,11,12,14,15,16-nonadeuterio-4-(2-naphthalen-1-yl-5-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?

The canonical SMILES for 3,5,6,10,11,12,14,15,16-nonadeuterio-4-(2-naphthalen-1-yl-5-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is [2H]c1c([2H])c(-c2cc(-c3ccccc3)ccc2-c2cccc3ccccc23)c([2H])c2c1Oc1c([2H])c([2H])c([2H])c3c([2H])c([2H])c([2H])c-2c13.

What is the InChIKey of 3,5,6,10,11,12,14,15,16-nonadeuterio-4-(2-naphthalen-1-yl-5-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?

The InChIKey is XSSGERFOCLGGJD-MKQGQCBUSA-N. The full InChI is InChI=1S/C38H24O/c1-2-9-25(10-3-1)28-19-21-32(31-16-6-12-26-11-4-5-15-30(26)31)34(23-28)29-20-22-36-35(24-29)33-17-7-13-27-14-8-18-37(39-36)38(27)33/h1-24H/i7D,8D,13D,14D,17D,18D,20D,22D,24D.

What are the key properties of 3,5,6,10,11,12,14,15,16-nonadeuterio-4-(2-naphthalen-1-yl-5-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?

3,5,6,10,11,12,14,15,16-nonadeuterio-4-(2-naphthalen-1-yl-5-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene has a molecular weight of 505.66 g/mol, XLogP of 10.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5,6,10,11,12,14,15,16-nonadeuterio-4-(2-naphthalen-1-yl-5-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is sourced from PubChem (CID 177299155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).