5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

C75H46N6O — CID 160969455

About 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 160969455) has the molecular formula C75H46N6O and a molecular weight of 1047.23 g/mol. Its IUPAC name is 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 160969455
• Molecular Formula: C75H46N6O
• Molecular Weight: 1047.23 g/mol
• Exact Mass: 1046.37
• IUPAC Name: 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1
• InChI: InChI=1S/C75H46N6O/c1-3-21-47(22-4-1)73-76-74(48-23-5-2-6-24-48)78-75(77-73)51-45-61(49-25-19-27-52(43-49)79-63-35-13-7-29-54(63)55-30-8-14-36-64(55)79)71(81-67-39-17-11-34-60(67)70-68(81)42-41-59-58-33-12-18-40-69(58)82-72(59)70)62(46-51)50-26-20-28-53(44-50)80-65-37-15-9-31-56(65)57-32-10-16-38-66(57)80/h1-46H
• InChIKey: KJDGHOBBIOJRBG-UHFFFAOYSA-N
• XLogP: 19.40
• TPSA: 66.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1047.23
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 160969455) is 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1.

What is the InChIKey of 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?

The InChIKey is KJDGHOBBIOJRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H46N6O/c1-3-21-47(22-4-1)73-76-74(48-23-5-2-6-24-48)78-75(77-73)51-45-61(49-25-19-27-52(43-49)79-63-35-13-7-29-54(63)55-30-8-14-36-64(55)79)71(81-67-39-17-11-34-60(67)70-68(81)42-41-59-58-33-12-18-40-69(58)82-72(59)70)62(46-51)50-26-20-28-53(44-50)80-65-37-15-9-31-56(65)57-32-10-16-38-66(57)80/h1-46H.

What are the key properties of 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?

5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1047.23 g/mol, XLogP of 19.40, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 160969455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).