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

C57H35N5O2 — CID 174283920

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

9-[9-[9-[4-(3,4-dihydrocarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole (PubChem CID 174283920) has the molecular formula C57H35N5O2 and a molecular weight of 821.94 g/mol. Its IUPAC name is 9-[9-[9-[4-(3,4-dihydrocarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[9-[9-[4-(3,4-dihydrocarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
• PubChem CID: 174283920
• Molecular Formula: C57H35N5O2
• Molecular Weight: 821.94 g/mol
• Exact Mass: 821.28
• IUPAC Name: 9-[9-[9-[4-(3,4-dihydrocarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
• SMILES: C1=Cc2c(c3ccccc3n2-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cccc7oc8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8c67)cc5c34)n2)CC1
• InChI: InChI=1S/C57H35N5O2/c1-2-14-34(15-3-1)55-58-56(60-57(59-55)62-47-24-10-6-18-40(47)41-19-7-11-25-48(41)62)42-21-13-27-52-54(42)43-32-35(28-30-49(43)63-52)37-20-12-26-51-53(37)44-33-36(29-31-50(44)64-51)61-45-22-8-4-16-38(45)39-17-5-9-23-46(39)61/h1-6,8-18,20-33H,7,19H2
• InChIKey: CAQCUKPIRKGNAB-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 74.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.94
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 9-[9-[9-[4-(3,4-dihydrocarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole (CID 174283920) is 9-[9-[9-[4-(3,4-dihydrocarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole.

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

The canonical SMILES for 9-[9-[9-[4-(3,4-dihydrocarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole is C1=Cc2c(c3ccccc3n2-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cccc7oc8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8c67)cc5c34)n2)CC1.

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

The InChIKey is CAQCUKPIRKGNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O2/c1-2-14-34(15-3-1)55-58-56(60-57(59-55)62-47-24-10-6-18-40(47)41-19-7-11-25-48(41)62)42-21-13-27-52-54(42)43-32-35(28-30-49(43)63-52)37-20-12-26-51-53(37)44-33-36(29-31-50(44)64-51)61-45-22-8-4-16-38(45)39-17-5-9-23-46(39)61/h1-6,8-18,20-33H,7,19H2.

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

9-[9-[9-[4-(3,4-dihydrocarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 821.94 g/mol, XLogP of 14.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[9-[9-[4-(3,4-dihydrocarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 174283920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).