8-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole

C37H27NO — CID 177127406

About 8-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole

8-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole (PubChem CID 177127406) has the molecular formula C37H27NO and a molecular weight of 508.67 g/mol. Its IUPAC name is 8-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole.

Molecular Properties

• Compound Name: 8-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole
• PubChem CID: 177127406
• Molecular Formula: C37H27NO
• Molecular Weight: 508.67 g/mol
• Exact Mass: 508.25
• IUPAC Name: 8-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c(-c3ccc4c(c3)c3ccc5ccccc5c3n4-c3ccccc3)c([2H])c1C2(C)C
• InChI: InChI=1S/C37H27NO/c1-37(2)31-14-8-9-15-34(31)39-35-21-18-26(23-32(35)37)25-17-20-33-30(22-25)29-19-16-24-10-6-7-13-28(24)36(29)38(33)27-11-4-3-5-12-27/h3-23H,1-2H3/i8D,9D,14D,15D,18D,21D,23D
• InChIKey: DIZHKDLTVXVRAD-MMSQBFPYSA-N
• XLogP: 10.04
• TPSA: 14.16 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.67
LogP ≤ 5	10.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 8-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole?

The IUPAC name of 8-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole (CID 177127406) is 8-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole.

What is the SMILES notation for 8-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole?

The canonical SMILES for 8-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c(-c3ccc4c(c3)c3ccc5ccccc5c3n4-c3ccccc3)c([2H])c1C2(C)C.

What is the InChIKey of 8-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole?

The InChIKey is DIZHKDLTVXVRAD-MMSQBFPYSA-N. The full InChI is InChI=1S/C37H27NO/c1-37(2)31-14-8-9-15-34(31)39-35-21-18-26(23-32(35)37)25-17-20-33-30(22-25)29-19-16-24-10-6-7-13-28(24)36(29)38(33)27-11-4-3-5-12-27/h3-23H,1-2H3/i8D,9D,14D,15D,18D,21D,23D.

What are the key properties of 8-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole?

8-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole has a molecular weight of 508.67 g/mol, XLogP of 10.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 177127406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).