9-[2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole

C69H44N4O2 — CID 177277013

About 9-[2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole

9-[2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole (PubChem CID 177277013) has the molecular formula C69H44N4O2 and a molecular weight of 961.14 g/mol. Its IUPAC name is 9-[2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-[2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole
• PubChem CID: 177277013
• Molecular Formula: C69H44N4O2
• Molecular Weight: 961.14 g/mol
• Exact Mass: 960.35
• IUPAC Name: 9-[2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole
• SMILES: C1=CC(c2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)cc(-c3ccccc3)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)=CCC1
• InChI: InChI=1S/C69H44N4O2/c1-5-18-43(19-6-1)47-33-36-60-58(38-47)59-39-48(44-20-7-2-8-21-44)34-37-61(59)73(60)65-56(45-22-9-3-10-23-45)40-50(41-57(65)46-24-11-4-12-25-46)68-70-67(49-32-35-53-51-26-13-15-30-62(51)74-64(53)42-49)71-69(72-68)55-29-17-28-54-52-27-14-16-31-63(52)75-66(54)55/h1-3,5-11,13-42H,4,12H2
• InChIKey: CGYZORJYOGKDKI-UHFFFAOYSA-N
• XLogP: 18.50
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	961.14
LogP ≤ 5	18.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole?

The IUPAC name of 9-[2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole (CID 177277013) is 9-[2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole.

What is the SMILES notation for 9-[2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole?

The canonical SMILES for 9-[2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole is C1=CC(c2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)cc(-c3ccccc3)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)=CCC1.

What is the InChIKey of 9-[2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole?

The InChIKey is CGYZORJYOGKDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N4O2/c1-5-18-43(19-6-1)47-33-36-60-58(38-47)59-39-48(44-20-7-2-8-21-44)34-37-61(59)73(60)65-56(45-22-9-3-10-23-45)40-50(41-57(65)46-24-11-4-12-25-46)68-70-67(49-32-35-53-51-26-13-15-30-62(51)74-64(53)42-49)71-69(72-68)55-29-17-28-54-52-27-14-16-31-63(52)75-66(54)55/h1-3,5-11,13-42H,4,12H2.

What are the key properties of 9-[2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole?

9-[2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole has a molecular weight of 961.14 g/mol, XLogP of 18.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 177277013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).