1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole

C37H26N2 — CID 164979337

About 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole

1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 164979337) has the molecular formula C37H26N2 and a molecular weight of 521.77 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• PubChem CID: 164979337
• Molecular Formula: C37H26N2
• Molecular Weight: 521.77 g/mol
• Exact Mass: 521.35
• IUPAC Name: 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-c4c([2H])c([2H])c5c(c4[2H])c4c([2H])c([2H])c(C)c([2H])c4n5-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c([2H])c32)c([2H])c1[2H]
• InChI: InChI=1S/C37H26N2/c1-25-16-19-31-33-24-27(18-21-36(33)39(37(31)22-25)29-12-6-3-7-13-29)26-17-20-35-32(23-26)30-14-8-9-15-34(30)38(35)28-10-4-2-5-11-28/h2-24H,1H3/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D
• InChIKey: NBUOYSIULALPRA-CAWYKDCXSA-N
• XLogP: 9.86
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.77
LogP ≤ 5	9.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 164979337) is 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

What is the SMILES notation for 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-c4c([2H])c([2H])c5c(c4[2H])c4c([2H])c([2H])c(C)c([2H])c4n5-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c([2H])c32)c([2H])c1[2H].

What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The InChIKey is NBUOYSIULALPRA-CAWYKDCXSA-N. The full InChI is InChI=1S/C37H26N2/c1-25-16-19-31-33-24-27(18-21-36(33)39(37(31)22-25)29-12-6-3-7-13-29)26-17-20-35-32(23-26)30-14-8-9-15-34(30)38(35)28-10-4-2-5-11-28/h2-24H,1H3/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D.

What are the key properties of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 521.77 g/mol, XLogP of 9.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,8-hexadeuterio-7-methyl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 164979337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).