3-(3,6-diphenylcarbazol-9-yl)-4-(3-phenyl-4H-carbazol-4-id-9-yl)benzene-1,2-dicarbonitrile;uranium(2+)

C50H28N4U — CID 163756051

About 3-(3,6-diphenylcarbazol-9-yl)-4-(3-phenyl-4H-carbazol-4-id-9-yl)benzene-1,2-dicarbonitrile;uranium(2+)

3-(3,6-diphenylcarbazol-9-yl)-4-(3-phenyl-4H-carbazol-4-id-9-yl)benzene-1,2-dicarbonitrile;uranium(2+) (PubChem CID 163756051) has the molecular formula C50H28N4U and a molecular weight of 922.83 g/mol. Its IUPAC name is 3-(3,6-diphenylcarbazol-9-yl)-4-(3-phenyl-4H-carbazol-4-id-9-yl)benzene-1,2-dicarbonitrile;uranium(2+).

Molecular Properties

• Compound Name: 3-(3,6-diphenylcarbazol-9-yl)-4-(3-phenyl-4H-carbazol-4-id-9-yl)benzene-1,2-dicarbonitrile;uranium(2+)
• PubChem CID: 163756051
• Molecular Formula: C50H28N4U
• Molecular Weight: 922.83 g/mol
• Exact Mass: 922.28
• IUPAC Name: 3-(3,6-diphenylcarbazol-9-yl)-4-(3-phenyl-4H-carbazol-4-id-9-yl)benzene-1,2-dicarbonitrile;uranium(2+)
• SMILES: N#Cc1ccc(-n2c3ccc(-c4[c-]cccc4)[c-]c3c3ccccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1C#N.[U+2]
• InChI: InChI=1S/C50H28N4.U/c51-31-39-23-27-49(53-45-19-11-10-18-40(45)41-28-36(20-24-46(41)53)33-12-4-1-5-13-33)50(44(39)32-52)54-47-25-21-37(34-14-6-2-7-15-34)29-42(47)43-30-38(22-26-48(43)54)35-16-8-3-9-17-35;/h1-12,14-27,29-30H;/q-2;+2
• InChIKey: OEKWCPYQLBQTNG-UHFFFAOYSA-N
• XLogP: 12.23
• TPSA: 57.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.83
LogP ≤ 5	12.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-diphenylcarbazol-9-yl)-4-(3-phenyl-4H-carbazol-4-id-9-yl)benzene-1,2-dicarbonitrile;uranium(2+)?

The IUPAC name of 3-(3,6-diphenylcarbazol-9-yl)-4-(3-phenyl-4H-carbazol-4-id-9-yl)benzene-1,2-dicarbonitrile;uranium(2+) (CID 163756051) is 3-(3,6-diphenylcarbazol-9-yl)-4-(3-phenyl-4H-carbazol-4-id-9-yl)benzene-1,2-dicarbonitrile;uranium(2+).

What is the SMILES notation for 3-(3,6-diphenylcarbazol-9-yl)-4-(3-phenyl-4H-carbazol-4-id-9-yl)benzene-1,2-dicarbonitrile;uranium(2+)?

The canonical SMILES for 3-(3,6-diphenylcarbazol-9-yl)-4-(3-phenyl-4H-carbazol-4-id-9-yl)benzene-1,2-dicarbonitrile;uranium(2+) is N#Cc1ccc(-n2c3ccc(-c4[c-]cccc4)[c-]c3c3ccccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1C#N.[U+2].

What is the InChIKey of 3-(3,6-diphenylcarbazol-9-yl)-4-(3-phenyl-4H-carbazol-4-id-9-yl)benzene-1,2-dicarbonitrile;uranium(2+)?

The InChIKey is OEKWCPYQLBQTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N4.U/c51-31-39-23-27-49(53-45-19-11-10-18-40(45)41-28-36(20-24-46(41)53)33-12-4-1-5-13-33)50(44(39)32-52)54-47-25-21-37(34-14-6-2-7-15-34)29-42(47)43-30-38(22-26-48(43)54)35-16-8-3-9-17-35;/h1-12,14-27,29-30H;/q-2;+2.

What are the key properties of 3-(3,6-diphenylcarbazol-9-yl)-4-(3-phenyl-4H-carbazol-4-id-9-yl)benzene-1,2-dicarbonitrile;uranium(2+)?

3-(3,6-diphenylcarbazol-9-yl)-4-(3-phenyl-4H-carbazol-4-id-9-yl)benzene-1,2-dicarbonitrile;uranium(2+) has a molecular weight of 922.83 g/mol, XLogP of 12.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,6-diphenylcarbazol-9-yl)-4-(3-phenyl-4H-carbazol-4-id-9-yl)benzene-1,2-dicarbonitrile;uranium(2+) is sourced from PubChem (CID 163756051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).