5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

C53H33N5 — CID 146621053

About 5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 146621053) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
• PubChem CID: 146621053
• Molecular Formula: C53H33N5
• Molecular Weight: 739.88 g/mol
• Exact Mass: 739.27
• IUPAC Name: 5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5)nc(-c5cccc6ccccc56)n4)ccc32)cc1
• InChI: InChI=1S/C53H33N5/c1-2-17-39(18-3-1)57-47-23-10-8-20-42(47)45-32-38(27-30-49(45)57)52-54-51(55-53(56-52)44-22-12-16-34-13-6-7-19-41(34)44)35-25-28-40(29-26-35)58-48-24-11-9-21-43(48)46-31-36-14-4-5-15-37(36)33-50(46)58/h1-33H
• InChIKey: UGTFRFMBKPEXCS-UHFFFAOYSA-N
• XLogP: 13.37
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.88
LogP ≤ 5	13.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (CID 146621053) is 5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

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

The canonical SMILES for 5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5)nc(-c5cccc6ccccc56)n4)ccc32)cc1.

What is the InChIKey of 5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?

The InChIKey is UGTFRFMBKPEXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-2-17-39(18-3-1)57-47-23-10-8-20-42(47)45-32-38(27-30-49(45)57)52-54-51(55-53(56-52)44-22-12-16-34-13-6-7-19-41(34)44)35-25-28-40(29-26-35)58-48-24-11-9-21-43(48)46-31-36-14-4-5-15-37(36)33-50(46)58/h1-33H.

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

5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole has a molecular weight of 739.88 g/mol, XLogP of 13.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 146621053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).