3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

C69H45N5O — CID 162698987

About 3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 162698987) has the molecular formula C69H45N5O and a molecular weight of 960.15 g/mol. Its IUPAC name is 3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

• Compound Name: 3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
• PubChem CID: 162698987
• Molecular Formula: C69H45N5O
• Molecular Weight: 960.15 g/mol
• Exact Mass: 959.36
• IUPAC Name: 3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
• SMILES: c1ccc(C2=NC(c3ccccc3)NC(c3cccc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc7n8-c7ccccc7)cc6c45)c3)=N2)cc1
• InChI: InChI=1S/C69H45N5O/c1-5-17-44(18-6-1)67-70-68(45-19-7-2-8-20-45)72-69(71-67)51-22-15-21-50(39-51)54-28-16-30-65-66(54)59-43-49(34-38-64(59)75-65)48-33-37-63-58(42-48)57-41-47(32-36-62(57)74(63)53-25-11-4-12-26-53)46-31-35-61-56(40-46)55-27-13-14-29-60(55)73(61)52-23-9-3-10-24-52/h1-43,67H,(H,70,71,72)
• InChIKey: KRMQDJKTDYJXFD-UHFFFAOYSA-N
• XLogP: 17.28
• TPSA: 59.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	960.15
LogP ≤ 5	17.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (CID 162698987) is 3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.

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

The canonical SMILES for 3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is c1ccc(C2=NC(c3ccccc3)NC(c3cccc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)ccc7n8-c7ccccc7)cc6c45)c3)=N2)cc1.

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

The InChIKey is KRMQDJKTDYJXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N5O/c1-5-17-44(18-6-1)67-70-68(45-19-7-2-8-20-45)72-69(71-67)51-22-15-21-50(39-51)54-28-16-30-65-66(54)59-43-49(34-38-64(59)75-65)48-33-37-63-58(42-48)57-41-47(32-36-62(57)74(63)53-25-11-4-12-26-53)46-31-35-61-56(40-46)55-27-13-14-29-60(55)73(61)52-23-9-3-10-24-52/h1-43,67H,(H,70,71,72).

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

3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 960.15 g/mol, XLogP of 17.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 162698987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).