5-[4-[4-naphthalen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole

C53H34N4O — CID 166699268

About 5-[4-[4-naphthalen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole

5-[4-[4-naphthalen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 166699268) has the molecular formula C53H34N4O and a molecular weight of 742.88 g/mol. Its IUPAC name is 5-[4-[4-naphthalen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[4-[4-naphthalen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
• PubChem CID: 166699268
• Molecular Formula: C53H34N4O
• Molecular Weight: 742.88 g/mol
• Exact Mass: 742.27
• IUPAC Name: 5-[4-[4-naphthalen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2ccc(C3N=C(c4ccc5ccccc5c4)N=C(c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5c4oc4ccccc45)N3)cc2)cc1
• InChI: InChI=1S/C53H34N4O/c1-2-12-33(13-3-1)35-22-25-36(26-23-35)51-54-52(40-27-24-34-14-4-5-15-37(34)28-40)56-53(55-51)46-32-41(31-45-43-19-9-11-21-49(43)58-50(45)46)57-47-20-10-8-18-42(47)44-29-38-16-6-7-17-39(38)30-48(44)57/h1-32,51H,(H,54,55,56)
• InChIKey: SNTUQCNAURJZRF-UHFFFAOYSA-N
• XLogP: 13.15
• TPSA: 54.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.88
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[4-[4-naphthalen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole (CID 166699268) is 5-[4-[4-naphthalen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole.

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

The canonical SMILES for 5-[4-[4-naphthalen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole is c1ccc(-c2ccc(C3N=C(c4ccc5ccccc5c4)N=C(c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5c4oc4ccccc45)N3)cc2)cc1.

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

The InChIKey is SNTUQCNAURJZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4O/c1-2-12-33(13-3-1)35-22-25-36(26-23-35)51-54-52(40-27-24-34-14-4-5-15-37(34)28-40)56-53(55-51)46-32-41(31-45-43-19-9-11-21-49(43)58-50(45)46)57-47-20-10-8-18-42(47)44-29-38-16-6-7-17-39(38)30-48(44)57/h1-32,51H,(H,54,55,56).

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

5-[4-[4-naphthalen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole has a molecular weight of 742.88 g/mol, XLogP of 13.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-naphthalen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 166699268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).