11-[4-[4-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[3,2-b]carbazole

C69H46N4O — CID 155179800

About 11-[4-[4-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[3,2-b]carbazole

11-[4-[4-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 155179800) has the molecular formula C69H46N4O and a molecular weight of 947.15 g/mol. Its IUPAC name is 11-[4-[4-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

• Compound Name: 11-[4-[4-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[3,2-b]carbazole
• PubChem CID: 155179800
• Molecular Formula: C69H46N4O
• Molecular Weight: 947.15 g/mol
• Exact Mass: 946.37
• IUPAC Name: 11-[4-[4-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[3,2-b]carbazole
• SMILES: C1=C(c2ccccc2)CC(c2ccccc2)C=C1c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2cc(-c3ccccc3)c(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c(-c3ccccc3)c2)n1
• InChI: InChI=1S/C69H46N4O/c1-6-20-45(21-7-1)48-34-36-51(37-35-48)67-70-68(54-39-52(46-22-8-2-9-23-46)38-53(40-54)47-24-10-3-11-25-47)72-69(71-67)55-41-58(49-26-12-4-13-27-49)66(59(42-55)50-28-14-5-15-29-50)73-62-32-18-16-30-56(62)60-44-65-61(43-63(60)73)57-31-17-19-33-64(57)74-65/h1-37,39-44,52H,38H2
• InChIKey: AEMJYQPKUVZYHR-UHFFFAOYSA-N
• XLogP: 17.86
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.15
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[3,2-b]carbazole?

The IUPAC name of 11-[4-[4-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[3,2-b]carbazole (CID 155179800) is 11-[4-[4-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[3,2-b]carbazole.

What is the SMILES notation for 11-[4-[4-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[3,2-b]carbazole?

The canonical SMILES for 11-[4-[4-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[3,2-b]carbazole is C1=C(c2ccccc2)CC(c2ccccc2)C=C1c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2cc(-c3ccccc3)c(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c(-c3ccccc3)c2)n1.

What is the InChIKey of 11-[4-[4-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[3,2-b]carbazole?

The InChIKey is AEMJYQPKUVZYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N4O/c1-6-20-45(21-7-1)48-34-36-51(37-35-48)67-70-68(54-39-52(46-22-8-2-9-23-46)38-53(40-54)47-24-10-3-11-25-47)72-69(71-67)55-41-58(49-26-12-4-13-27-49)66(59(42-55)50-28-14-5-15-29-50)73-62-32-18-16-30-56(62)60-44-65-61(43-63(60)73)57-31-17-19-33-64(57)74-65/h1-37,39-44,52H,38H2.

What are the key properties of 11-[4-[4-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[3,2-b]carbazole?

11-[4-[4-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 947.15 g/mol, XLogP of 17.86, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-[4-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 155179800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).