1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-7-methoxycarbazole

C36H40N2O — CID 177133263

About 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-7-methoxycarbazole

1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-7-methoxycarbazole (PubChem CID 177133263) has the molecular formula C36H40N2O and a molecular weight of 522.77 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-7-methoxycarbazole.

Molecular Properties

• Compound Name: 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-7-methoxycarbazole
• PubChem CID: 177133263
• Molecular Formula: C36H40N2O
• Molecular Weight: 522.77 g/mol
• Exact Mass: 522.35
• IUPAC Name: 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-7-methoxycarbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(OC)cc1n2-c1cc(C([2H])([2H])C(C)C)c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cn1
• InChI: InChI=1S/C36H40N2O/c1-23(2)18-25-20-34(38-32-11-9-8-10-27(32)28-14-13-26(39-7)21-33(28)38)37-22-29(25)24-12-15-30-31(19-24)36(5,6)17-16-35(30,3)4/h8-15,19-23H,16-18H2,1-7H3/i8D,9D,10D,11D,18D2
• InChIKey: CXESFRHCRVHIJG-XCYUYLDISA-N
• XLogP: 9.40
• TPSA: 27.05 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.77
LogP ≤ 5	9.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-7-methoxycarbazole?

The IUPAC name of 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-7-methoxycarbazole (CID 177133263) is 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-7-methoxycarbazole.

What is the SMILES notation for 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-7-methoxycarbazole?

The canonical SMILES for 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-7-methoxycarbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(OC)cc1n2-c1cc(C([2H])([2H])C(C)C)c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cn1.

What is the InChIKey of 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-7-methoxycarbazole?

The InChIKey is CXESFRHCRVHIJG-XCYUYLDISA-N. The full InChI is InChI=1S/C36H40N2O/c1-23(2)18-25-20-34(38-32-11-9-8-10-27(32)28-14-13-26(39-7)21-33(28)38)37-22-29(25)24-12-15-30-31(19-24)36(5,6)17-16-35(30,3)4/h8-15,19-23H,16-18H2,1-7H3/i8D,9D,10D,11D,18D2.

What are the key properties of 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-7-methoxycarbazole?

1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-7-methoxycarbazole has a molecular weight of 522.77 g/mol, XLogP of 9.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]-7-methoxycarbazole is sourced from PubChem (CID 177133263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).