6-tert-butyl-3-propan-2-yl-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;3,6-difluoro-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;tetrakis(nickel(2+));1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;9-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]-1H-carbazol-1-ide

C119H80F2N12Ni4 — CID 158810672

About 6-tert-butyl-3-propan-2-yl-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;3,6-difluoro-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;tetrakis(nickel(2+));1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;9-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]-1H-carbazol-1-ide

6-tert-butyl-3-propan-2-yl-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;3,6-difluoro-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;tetrakis(nickel(2+));1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;9-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]-1H-carbazol-1-ide (PubChem CID 158810672) has the molecular formula C119H80F2N12Ni4 and a molecular weight of 1950.80 g/mol. Its IUPAC name is 6-tert-butyl-3-propan-2-yl-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;3,6-difluoro-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;tetrakis(nickel(2+));1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;9-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: 6-tert-butyl-3-propan-2-yl-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;3,6-difluoro-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;tetrakis(nickel(2+));1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;9-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]-1H-carbazol-1-ide
• PubChem CID: 158810672
• Molecular Formula: C119H80F2N12Ni4
• Molecular Weight: 1950.80 g/mol
• Exact Mass: 1946.40
• IUPAC Name: 6-tert-butyl-3-propan-2-yl-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;3,6-difluoro-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;tetrakis(nickel(2+));1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;9-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]-1H-carbazol-1-ide
• SMILES: CC(C)c1cc(-c2cccc(-c3[c-]c(-c4ccccn4)ccc3)n2)c2[n-]c3ccc(C(C)(C)C)cc3c2c1.Fc1ccc2[n-]c3c(-c4cccc(-c5[c-]c(-c6ccccn6)ccc5)n4)cc(F)cc3c2c1.[Ni+2].[Ni+2].[Ni+2].[Ni+2].[c-]1c(-c2ccccn2)cccc1-c1cccc(-c2cccc3c2[n-]c2ccccc23)n1.[c-]1c(-c2ccccn2)cccc1-c1cccc(-n2c3[c-]cccc3c3ccccc32)n1
• InChI: InChI=1S/C35H31N3.C28H15F2N3.2C28H17N3.4Ni/c1-22(2)25-19-28-27-21-26(35(3,4)5)15-16-33(27)38-34(28)29(20-25)32-14-9-13-31(37-32)24-11-8-10-23(18-24)30-12-6-7-17-36-30;29-19-10-11-27-21(14-19)22-15-20(30)16-23(28(22)33-27)26-9-4-8-25(32-26)18-6-3-5-17(13-18)24-7-1-2-12-31-24;1-3-15-26-22(11-1)23-12-2-4-16-27(23)31(26)28-17-8-14-25(30-28)21-10-7-9-20(19-21)24-13-5-6-18-29-24;1-2-14-26-21(10-1)22-11-6-12-23(28(22)31-26)27-16-7-15-25(30-27)20-9-5-8-19(18-20)24-13-3-4-17-29-24;;;;/h6-17,19-22H,1-5H3;1-12,14-16H;1-15,17-18H;1-17H;;;;/q4*-2;4*+2
• InChIKey: ORNRGORVCXBVLX-UHFFFAOYSA-N
• XLogP: 28.82
• TPSA: 150.35 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1950.80
LogP ≤ 5	28.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-propan-2-yl-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;3,6-difluoro-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;tetrakis(nickel(2+));1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;9-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]-1H-carbazol-1-ide?

The IUPAC name of 6-tert-butyl-3-propan-2-yl-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;3,6-difluoro-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;tetrakis(nickel(2+));1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;9-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]-1H-carbazol-1-ide (CID 158810672) is 6-tert-butyl-3-propan-2-yl-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;3,6-difluoro-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;tetrakis(nickel(2+));1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;9-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]-1H-carbazol-1-ide.

What is the SMILES notation for 6-tert-butyl-3-propan-2-yl-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;3,6-difluoro-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;tetrakis(nickel(2+));1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;9-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]-1H-carbazol-1-ide?

The canonical SMILES for 6-tert-butyl-3-propan-2-yl-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;3,6-difluoro-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;tetrakis(nickel(2+));1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;9-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]-1H-carbazol-1-ide is CC(C)c1cc(-c2cccc(-c3[c-]c(-c4ccccn4)ccc3)n2)c2[n-]c3ccc(C(C)(C)C)cc3c2c1.Fc1ccc2[n-]c3c(-c4cccc(-c5[c-]c(-c6ccccn6)ccc5)n4)cc(F)cc3c2c1.[Ni+2].[Ni+2].[Ni+2].[Ni+2].[c-]1c(-c2ccccn2)cccc1-c1cccc(-c2cccc3c2[n-]c2ccccc23)n1.[c-]1c(-c2ccccn2)cccc1-c1cccc(-n2c3[c-]cccc3c3ccccc32)n1.

What is the InChIKey of 6-tert-butyl-3-propan-2-yl-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;3,6-difluoro-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;tetrakis(nickel(2+));1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;9-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]-1H-carbazol-1-ide?

The InChIKey is ORNRGORVCXBVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N3.C28H15F2N3.2C28H17N3.4Ni/c1-22(2)25-19-28-27-21-26(35(3,4)5)15-16-33(27)38-34(28)29(20-25)32-14-9-13-31(37-32)24-11-8-10-23(18-24)30-12-6-7-17-36-30;29-19-10-11-27-21(14-19)22-15-20(30)16-23(28(22)33-27)26-9-4-8-25(32-26)18-6-3-5-17(13-18)24-7-1-2-12-31-24;1-3-15-26-22(11-1)23-12-2-4-16-27(23)31(26)28-17-8-14-25(30-28)21-10-7-9-20(19-21)24-13-5-6-18-29-24;1-2-14-26-21(10-1)22-11-6-12-23(28(22)31-26)27-16-7-15-25(30-27)20-9-5-8-19(18-20)24-13-3-4-17-29-24;;;;/h6-17,19-22H,1-5H3;1-12,14-16H;1-15,17-18H;1-17H;;;;/q4*-2;4*+2.

What are the key properties of 6-tert-butyl-3-propan-2-yl-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;3,6-difluoro-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;tetrakis(nickel(2+));1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;9-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]-1H-carbazol-1-ide?

6-tert-butyl-3-propan-2-yl-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;3,6-difluoro-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;tetrakis(nickel(2+));1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;9-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]-1H-carbazol-1-ide has a molecular weight of 1950.80 g/mol, XLogP of 28.82, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-3-propan-2-yl-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;3,6-difluoro-1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;tetrakis(nickel(2+));1-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]carbazol-9-ide;9-[6-(3-pyridin-2-ylbenzene-2-id-1-yl)-2-pyridinyl]-1H-carbazol-1-ide is sourced from PubChem (CID 158810672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).