3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole

C69H44N6 — CID 138606121

About 3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole

3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole (PubChem CID 138606121) has the molecular formula C69H44N6 and a molecular weight of 957.15 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole
• PubChem CID: 138606121
• Molecular Formula: C69H44N6
• Molecular Weight: 957.15 g/mol
• Exact Mass: 956.36
• IUPAC Name: 3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4ccccc43)nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1
• InChI: InChI=1S/C69H44N6/c1-4-22-45(23-5-1)49-33-20-35-56(65(49)74-61-39-17-12-30-53(61)54-31-13-18-40-62(54)74)68-70-67(47-26-8-3-9-27-47)71-69(72-68)57-36-21-34-50(46-24-6-2-7-25-46)66(57)75-63-41-19-14-32-55(63)58-44-48(42-43-64(58)75)73-59-37-15-10-28-51(59)52-29-11-16-38-60(52)73/h1-44H
• InChIKey: UIFZYDMLRXNKHA-UHFFFAOYSA-N
• XLogP: 17.50
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.15
LogP ≤ 5	17.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole?

The IUPAC name of 3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole (CID 138606121) is 3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole.

What is the SMILES notation for 3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole?

The canonical SMILES for 3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole is c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4ccccc43)nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1.

What is the InChIKey of 3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole?

The InChIKey is UIFZYDMLRXNKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N6/c1-4-22-45(23-5-1)49-33-20-35-56(65(49)74-61-39-17-12-30-53(61)54-31-13-18-40-62(54)74)68-70-67(47-26-8-3-9-27-47)71-69(72-68)57-36-21-34-50(46-24-6-2-7-25-46)66(57)75-63-41-19-14-32-55(63)58-44-48(42-43-64(58)75)73-59-37-15-10-28-51(59)52-29-11-16-38-60(52)73/h1-44H.

What are the key properties of 3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole?

3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole has a molecular weight of 957.15 g/mol, XLogP of 17.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole is sourced from PubChem (CID 138606121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).