3-(9H-fluoren-1-yl)-9-[3-[4-[3-methyl-2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

C54H38N4 — CID 145016968

About 3-(9H-fluoren-1-yl)-9-[3-[4-[3-methyl-2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

3-(9H-fluoren-1-yl)-9-[3-[4-[3-methyl-2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 145016968) has the molecular formula C54H38N4 and a molecular weight of 742.93 g/mol. Its IUPAC name is 3-(9H-fluoren-1-yl)-9-[3-[4-[3-methyl-2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(9H-fluoren-1-yl)-9-[3-[4-[3-methyl-2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 145016968
• Molecular Formula: C54H38N4
• Molecular Weight: 742.93 g/mol
• Exact Mass: 742.31
• IUPAC Name: 3-(9H-fluoren-1-yl)-9-[3-[4-[3-methyl-2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: Cc1ccccc1-c1c(C)cccc1-c1nc(-c2ccccc2)nc(-c2cccc(-n3c4ccccc4c4cc(-c5cccc6c5Cc5ccccc5-6)ccc43)c2)n1
• InChI: InChI=1S/C54H38N4/c1-34-15-6-8-22-41(34)51-35(2)16-12-27-46(51)54-56-52(36-17-4-3-5-18-36)55-53(57-54)39-20-13-21-40(31-39)58-49-28-11-10-24-45(49)48-33-38(29-30-50(48)58)43-25-14-26-44-42-23-9-7-19-37(42)32-47(43)44/h3-31,33H,32H2,1-2H3
• InChIKey: DHZODSHTLKFTAJ-UHFFFAOYSA-N
• XLogP: 13.49
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.93
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-(9H-fluoren-1-yl)-9-[3-[4-[3-methyl-2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 145016968) is 3-(9H-fluoren-1-yl)-9-[3-[4-[3-methyl-2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

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

The canonical SMILES for 3-(9H-fluoren-1-yl)-9-[3-[4-[3-methyl-2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is Cc1ccccc1-c1c(C)cccc1-c1nc(-c2ccccc2)nc(-c2cccc(-n3c4ccccc4c4cc(-c5cccc6c5Cc5ccccc5-6)ccc43)c2)n1.

What is the InChIKey of 3-(9H-fluoren-1-yl)-9-[3-[4-[3-methyl-2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The InChIKey is DHZODSHTLKFTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4/c1-34-15-6-8-22-41(34)51-35(2)16-12-27-46(51)54-56-52(36-17-4-3-5-18-36)55-53(57-54)39-20-13-21-40(31-39)58-49-28-11-10-24-45(49)48-33-38(29-30-50(48)58)43-25-14-26-44-42-23-9-7-19-37(42)32-47(43)44/h3-31,33H,32H2,1-2H3.

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

3-(9H-fluoren-1-yl)-9-[3-[4-[3-methyl-2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 742.93 g/mol, XLogP of 13.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9H-fluoren-1-yl)-9-[3-[4-[3-methyl-2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 145016968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).