5-[2-dibenzofuran-2-yl-4-[4,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzo[b]carbazole

C67H40N4O3 — CID 155474676

About 5-[2-dibenzofuran-2-yl-4-[4,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzo[b]carbazole

5-[2-dibenzofuran-2-yl-4-[4,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzo[b]carbazole (PubChem CID 155474676) has the molecular formula C67H40N4O3 and a molecular weight of 949.08 g/mol. Its IUPAC name is 5-[2-dibenzofuran-2-yl-4-[4,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[2-dibenzofuran-2-yl-4-[4,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzo[b]carbazole
• PubChem CID: 155474676
• Molecular Formula: C67H40N4O3
• Molecular Weight: 949.08 g/mol
• Exact Mass: 948.31
• IUPAC Name: 5-[2-dibenzofuran-2-yl-4-[4,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzo[b]carbazole
• SMILES: c1ccc(-c2cccc3c2c2cc4ccccc4cc2n3-c2ccc(C3N=C(c4cccc5oc6ccccc6c45)N=C(c4cccc5oc6ccccc6c45)N3)cc2-c2ccc3oc4ccccc4c3c2)cc1
• InChI: InChI=1S/C67H40N4O3/c1-2-15-39(16-3-1)44-22-12-25-54-62(44)52-35-40-17-4-5-18-41(40)38-55(52)71(54)53-33-31-43(37-50(53)42-32-34-59-51(36-42)45-19-6-9-26-56(45)72-59)65-68-66(48-23-13-29-60-63(48)46-20-7-10-27-57(46)73-60)70-67(69-65)49-24-14-30-61-64(49)47-21-8-11-28-58(47)74-61/h1-38,65H,(H,68,69,70)
• InChIKey: KSUZUKSDDQTWGC-UHFFFAOYSA-N
• XLogP: 17.46
• TPSA: 81.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.08
LogP ≤ 5	17.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[2-dibenzofuran-2-yl-4-[4,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzo[b]carbazole (CID 155474676) is 5-[2-dibenzofuran-2-yl-4-[4,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzo[b]carbazole.

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

The canonical SMILES for 5-[2-dibenzofuran-2-yl-4-[4,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzo[b]carbazole is c1ccc(-c2cccc3c2c2cc4ccccc4cc2n3-c2ccc(C3N=C(c4cccc5oc6ccccc6c45)N=C(c4cccc5oc6ccccc6c45)N3)cc2-c2ccc3oc4ccccc4c3c2)cc1.

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

The InChIKey is KSUZUKSDDQTWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H40N4O3/c1-2-15-39(16-3-1)44-22-12-25-54-62(44)52-35-40-17-4-5-18-41(40)38-55(52)71(54)53-33-31-43(37-50(53)42-32-34-59-51(36-42)45-19-6-9-26-56(45)72-59)65-68-66(48-23-13-29-60-63(48)46-20-7-10-27-57(46)73-60)70-67(69-65)49-24-14-30-61-64(49)47-21-8-11-28-58(47)74-61/h1-38,65H,(H,68,69,70).

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

5-[2-dibenzofuran-2-yl-4-[4,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzo[b]carbazole has a molecular weight of 949.08 g/mol, XLogP of 17.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-dibenzofuran-2-yl-4-[4,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzo[b]carbazole is sourced from PubChem (CID 155474676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).