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

C44H40N2 — CID 59399824

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

1,2,3,4,5,7,8-heptadeuterio-9-[3-[3-[1,2,3,4,5,7,8-heptadeuterio-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazol-9-yl]phenyl]phenyl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazole (PubChem CID 59399824) has the molecular formula C44H40N2 and a molecular weight of 629.01 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-9-[3-[3-[1,2,3,4,5,7,8-heptadeuterio-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazol-9-yl]phenyl]phenyl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7,8-heptadeuterio-9-[3-[3-[1,2,3,4,5,7,8-heptadeuterio-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazol-9-yl]phenyl]phenyl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazole
• PubChem CID: 59399824
• Molecular Formula: C44H40N2
• Molecular Weight: 629.01 g/mol
• Exact Mass: 628.52
• IUPAC Name: 1,2,3,4,5,7,8-heptadeuterio-9-[3-[3-[1,2,3,4,5,7,8-heptadeuterio-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazol-9-yl]phenyl]phenyl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c1n2-c1cccc(-c2cccc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c43)c2)c1
• InChI: InChI=1S/C44H40N2/c1-43(2,3)31-21-23-41-37(27-31)35-17-7-9-19-39(35)45(41)33-15-11-13-29(25-33)30-14-12-16-34(26-30)46-40-20-10-8-18-36(40)38-28-32(44(4,5)6)22-24-42(38)46/h7-28H,1-6H3/i1D3,2D3,3D3,4D3,5D3,6D3,7D,8D,9D,10D,17D,18D,19D,20D,21D,22D,23D,24D,27D,28D
• InChIKey: TVUPZYBHWVGPQT-CQWCCJLZSA-N
• XLogP: 12.14
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.01
LogP ≤ 5	12.14
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-9-[3-[3-[1,2,3,4,5,7,8-heptadeuterio-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazol-9-yl]phenyl]phenyl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazole?

The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-[3-[3-[1,2,3,4,5,7,8-heptadeuterio-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazol-9-yl]phenyl]phenyl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazole (CID 59399824) is 1,2,3,4,5,7,8-heptadeuterio-9-[3-[3-[1,2,3,4,5,7,8-heptadeuterio-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazol-9-yl]phenyl]phenyl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazole.

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

The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-9-[3-[3-[1,2,3,4,5,7,8-heptadeuterio-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazol-9-yl]phenyl]phenyl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c1n2-c1cccc(-c2cccc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c43)c2)c1.

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

The InChIKey is TVUPZYBHWVGPQT-CQWCCJLZSA-N. The full InChI is InChI=1S/C44H40N2/c1-43(2,3)31-21-23-41-37(27-31)35-17-7-9-19-39(35)45(41)33-15-11-13-29(25-33)30-14-12-16-34(26-30)46-40-20-10-8-18-36(40)38-28-32(44(4,5)6)22-24-42(38)46/h7-28H,1-6H3/i1D3,2D3,3D3,4D3,5D3,6D3,7D,8D,9D,10D,17D,18D,19D,20D,21D,22D,23D,24D,27D,28D.

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

1,2,3,4,5,7,8-heptadeuterio-9-[3-[3-[1,2,3,4,5,7,8-heptadeuterio-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazol-9-yl]phenyl]phenyl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazole has a molecular weight of 629.01 g/mol, XLogP of 12.14, 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-9-[3-[3-[1,2,3,4,5,7,8-heptadeuterio-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazol-9-yl]phenyl]phenyl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbazole is sourced from PubChem (CID 59399824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).