1,2,3,4,6,7,9,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N,8-bis(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-amine

C43H31NO — CID 167402406

About 1,2,3,4,6,7,9,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N,8-bis(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-amine

1,2,3,4,6,7,9,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N,8-bis(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 167402406) has the molecular formula C43H31NO and a molecular weight of 608.92 g/mol. Its IUPAC name is 1,2,3,4,6,7,9,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N,8-bis(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

• Compound Name: 1,2,3,4,6,7,9,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N,8-bis(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-amine
• PubChem CID: 167402406
• Molecular Formula: C43H31NO
• Molecular Weight: 608.92 g/mol
• Exact Mass: 608.44
• IUPAC Name: 1,2,3,4,6,7,9,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N,8-bis(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-amine
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3oc4c5c([2H])c([2H])c([2H])c([2H])c5c(N(c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5c([2H])c([2H])c6c(c5[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])c5c([2H])c([2H])c([2H])c([2H])c5-6)c([2H])c4c3c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C43H31NO/c1-43(2)38-20-12-11-17-32(38)33-23-22-31(26-39(33)43)44(30-15-7-4-8-16-30)40-27-37-36-25-29(28-13-5-3-6-14-28)21-24-41(36)45-42(37)35-19-10-9-18-34(35)40/h3-27H,1-2H3/i1D3,2D3,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D
• InChIKey: JCDGWUBPPVQBKE-BSVRJZFASA-N
• XLogP: 12.18
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.92
LogP ≤ 5	12.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,9,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N,8-bis(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-amine?

The IUPAC name of 1,2,3,4,6,7,9,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N,8-bis(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-amine (CID 167402406) is 1,2,3,4,6,7,9,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N,8-bis(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-amine.

What is the SMILES notation for 1,2,3,4,6,7,9,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N,8-bis(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-amine?

The canonical SMILES for 1,2,3,4,6,7,9,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N,8-bis(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3oc4c5c([2H])c([2H])c([2H])c([2H])c5c(N(c5c([2H])c([2H])c([2H])c([2H])c5[2H])c5c([2H])c([2H])c6c(c5[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])c5c([2H])c([2H])c([2H])c([2H])c5-6)c([2H])c4c3c2[2H])c([2H])c1[2H].

What is the InChIKey of 1,2,3,4,6,7,9,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N,8-bis(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-amine?

The InChIKey is JCDGWUBPPVQBKE-BSVRJZFASA-N. The full InChI is InChI=1S/C43H31NO/c1-43(2)38-20-12-11-17-32(38)33-23-22-31(26-39(33)43)44(30-15-7-4-8-16-30)40-27-37-36-25-29(28-13-5-3-6-14-28)21-24-41(36)45-42(37)35-19-10-9-18-34(35)40/h3-27H,1-2H3/i1D3,2D3,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D.

What are the key properties of 1,2,3,4,6,7,9,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N,8-bis(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-amine?

1,2,3,4,6,7,9,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N,8-bis(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 608.92 g/mol, XLogP of 12.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,6,7,9,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N,8-bis(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 167402406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).