9-(9,9-dimethylfluoren-2-yl)-6-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile

C51H33N5 — CID 118152750

About 9-(9,9-dimethylfluoren-2-yl)-6-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile

9-(9,9-dimethylfluoren-2-yl)-6-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile (PubChem CID 118152750) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-6-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-2-yl)-6-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile
• PubChem CID: 118152750
• Molecular Formula: C51H33N5
• Molecular Weight: 715.86 g/mol
• Exact Mass: 715.27
• IUPAC Name: 9-(9,9-dimethylfluoren-2-yl)-6-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccc(C#N)cc4c4cc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)ccc43)cc21
• InChI: InChI=1S/C51H33N5/c1-51(2)44-20-8-7-17-38(44)39-24-23-35(29-45(39)51)56-46-25-21-31(30-52)27-42(46)43-28-34(22-26-47(43)56)48-53-49(40-18-9-13-32-11-3-5-15-36(32)40)55-50(54-48)41-19-10-14-33-12-4-6-16-37(33)41/h3-29H,1-2H3
• InChIKey: HGPLKZWAEGSCAV-UHFFFAOYSA-N
• XLogP: 12.45
• TPSA: 67.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.86
LogP ≤ 5	12.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-6-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile?

The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-6-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile (CID 118152750) is 9-(9,9-dimethylfluoren-2-yl)-6-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile.

What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-6-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile?

The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-6-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile is CC1(C)c2ccccc2-c2ccc(-n3c4ccc(C#N)cc4c4cc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)ccc43)cc21.

What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-6-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile?

The InChIKey is HGPLKZWAEGSCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-51(2)44-20-8-7-17-38(44)39-24-23-35(29-45(39)51)56-46-25-21-31(30-52)27-42(46)43-28-34(22-26-47(43)56)48-53-49(40-18-9-13-32-11-3-5-15-36(32)40)55-50(54-48)41-19-10-14-33-12-4-6-16-37(33)41/h3-29H,1-2H3.

What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-6-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile?

9-(9,9-dimethylfluoren-2-yl)-6-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile has a molecular weight of 715.86 g/mol, XLogP of 12.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(9,9-dimethylfluoren-2-yl)-6-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 118152750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).