6,6-bis(deuteriomethyl)-8-[2,2,3,3,4,5,5,6,6-nonadeuterio-4-(3,3,5,5-tetradeuteriomorpholin-4-yl)piperidin-1-yl]-11-oxo-9-(1,1,2-trideuterioethyl)-5H-benzo[b]carbazole-3-carbonitrile

C30H34N4O2 — CID 76684115

About 6,6-bis(deuteriomethyl)-8-[2,2,3,3,4,5,5,6,6-nonadeuterio-4-(3,3,5,5-tetradeuteriomorpholin-4-yl)piperidin-1-yl]-11-oxo-9-(1,1,2-trideuterioethyl)-5H-benzo[b]carbazole-3-carbonitrile

6,6-bis(deuteriomethyl)-8-[2,2,3,3,4,5,5,6,6-nonadeuterio-4-(3,3,5,5-tetradeuteriomorpholin-4-yl)piperidin-1-yl]-11-oxo-9-(1,1,2-trideuterioethyl)-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 76684115) has the molecular formula C30H34N4O2 and a molecular weight of 500.74 g/mol. Its IUPAC name is 6,6-bis(deuteriomethyl)-8-[2,2,3,3,4,5,5,6,6-nonadeuterio-4-(3,3,5,5-tetradeuteriomorpholin-4-yl)piperidin-1-yl]-11-oxo-9-(1,1,2-trideuterioethyl)-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 6,6-bis(deuteriomethyl)-8-[2,2,3,3,4,5,5,6,6-nonadeuterio-4-(3,3,5,5-tetradeuteriomorpholin-4-yl)piperidin-1-yl]-11-oxo-9-(1,1,2-trideuterioethyl)-5H-benzo[b]carbazole-3-carbonitrile
• PubChem CID: 76684115
• Molecular Formula: C30H34N4O2
• Molecular Weight: 500.74 g/mol
• Exact Mass: 500.38
• IUPAC Name: 6,6-bis(deuteriomethyl)-8-[2,2,3,3,4,5,5,6,6-nonadeuterio-4-(3,3,5,5-tetradeuteriomorpholin-4-yl)piperidin-1-yl]-11-oxo-9-(1,1,2-trideuterioethyl)-5H-benzo[b]carbazole-3-carbonitrile
• SMILES: [2H]CC([2H])([2H])c1cc2c(cc1N1C([2H])([2H])C([2H])([2H])C([2H])(N3C([2H])([2H])COCC3([2H])[2H])C([2H])([2H])C1([2H])[2H])C(C[2H])(C[2H])c1[nH]c3cc(C#N)ccc3c1C2=O
• InChI: InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3/i1D,2D,3D,4D2,7D2,8D2,9D2,10D2,11D2,12D2,21D
• InChIKey: KDGFLJKFZUIJMX-ZEGLDHIGSA-N
• XLogP: 4.77
• TPSA: 72.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.74
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6,6-bis(deuteriomethyl)-8-[2,2,3,3,4,5,5,6,6-nonadeuterio-4-(3,3,5,5-tetradeuteriomorpholin-4-yl)piperidin-1-yl]-11-oxo-9-(1,1,2-trideuterioethyl)-5H-benzo[b]carbazole-3-carbonitrile?

The IUPAC name of 6,6-bis(deuteriomethyl)-8-[2,2,3,3,4,5,5,6,6-nonadeuterio-4-(3,3,5,5-tetradeuteriomorpholin-4-yl)piperidin-1-yl]-11-oxo-9-(1,1,2-trideuterioethyl)-5H-benzo[b]carbazole-3-carbonitrile (CID 76684115) is 6,6-bis(deuteriomethyl)-8-[2,2,3,3,4,5,5,6,6-nonadeuterio-4-(3,3,5,5-tetradeuteriomorpholin-4-yl)piperidin-1-yl]-11-oxo-9-(1,1,2-trideuterioethyl)-5H-benzo[b]carbazole-3-carbonitrile.

What is the SMILES notation for 6,6-bis(deuteriomethyl)-8-[2,2,3,3,4,5,5,6,6-nonadeuterio-4-(3,3,5,5-tetradeuteriomorpholin-4-yl)piperidin-1-yl]-11-oxo-9-(1,1,2-trideuterioethyl)-5H-benzo[b]carbazole-3-carbonitrile?

The canonical SMILES for 6,6-bis(deuteriomethyl)-8-[2,2,3,3,4,5,5,6,6-nonadeuterio-4-(3,3,5,5-tetradeuteriomorpholin-4-yl)piperidin-1-yl]-11-oxo-9-(1,1,2-trideuterioethyl)-5H-benzo[b]carbazole-3-carbonitrile is [2H]CC([2H])([2H])c1cc2c(cc1N1C([2H])([2H])C([2H])([2H])C([2H])(N3C([2H])([2H])COCC3([2H])[2H])C([2H])([2H])C1([2H])[2H])C(C[2H])(C[2H])c1[nH]c3cc(C#N)ccc3c1C2=O.

What is the InChIKey of 6,6-bis(deuteriomethyl)-8-[2,2,3,3,4,5,5,6,6-nonadeuterio-4-(3,3,5,5-tetradeuteriomorpholin-4-yl)piperidin-1-yl]-11-oxo-9-(1,1,2-trideuterioethyl)-5H-benzo[b]carbazole-3-carbonitrile?

The InChIKey is KDGFLJKFZUIJMX-ZEGLDHIGSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3/i1D,2D,3D,4D2,7D2,8D2,9D2,10D2,11D2,12D2,21D.

What are the key properties of 6,6-bis(deuteriomethyl)-8-[2,2,3,3,4,5,5,6,6-nonadeuterio-4-(3,3,5,5-tetradeuteriomorpholin-4-yl)piperidin-1-yl]-11-oxo-9-(1,1,2-trideuterioethyl)-5H-benzo[b]carbazole-3-carbonitrile?

6,6-bis(deuteriomethyl)-8-[2,2,3,3,4,5,5,6,6-nonadeuterio-4-(3,3,5,5-tetradeuteriomorpholin-4-yl)piperidin-1-yl]-11-oxo-9-(1,1,2-trideuterioethyl)-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 500.74 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,6-bis(deuteriomethyl)-8-[2,2,3,3,4,5,5,6,6-nonadeuterio-4-(3,3,5,5-tetradeuteriomorpholin-4-yl)piperidin-1-yl]-11-oxo-9-(1,1,2-trideuterioethyl)-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 76684115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).