1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole

C84H55N7 — CID 139311961

About 1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole

1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole (PubChem CID 139311961) has the molecular formula C84H55N7 and a molecular weight of 1162.41 g/mol. Its IUPAC name is 1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
• PubChem CID: 139311961
• Molecular Formula: C84H55N7
• Molecular Weight: 1162.41 g/mol
• Exact Mass: 1161.45
• IUPAC Name: 1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c7cccc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)n9)c8)c7n(-c7ccccc7)c56)c4)n3)c2)cc1
• InChI: InChI=1S/C84H55N7/c1-8-26-56(27-9-1)66-50-67(57-28-10-2-11-29-57)53-70(52-66)83-87-79(60-34-16-5-17-35-60)85-81(89-83)64-40-22-38-62(48-64)73-44-24-46-75-76-47-25-45-74(78(76)91(77(73)75)72-42-20-7-21-43-72)63-39-23-41-65(49-63)82-86-80(61-36-18-6-19-37-61)88-84(90-82)71-54-68(58-30-12-3-13-31-58)51-69(55-71)59-32-14-4-15-33-59/h1-55H
• InChIKey: XNZJCWPKFRCOFG-UHFFFAOYSA-N
• XLogP: 21.16
• TPSA: 82.27 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1162.41
LogP ≤ 5	21.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole?

The IUPAC name of 1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole (CID 139311961) is 1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole.

What is the SMILES notation for 1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole?

The canonical SMILES for 1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c7cccc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)n9)c8)c7n(-c7ccccc7)c56)c4)n3)c2)cc1.

What is the InChIKey of 1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole?

The InChIKey is XNZJCWPKFRCOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H55N7/c1-8-26-56(27-9-1)66-50-67(57-28-10-2-11-29-57)53-70(52-66)83-87-79(60-34-16-5-17-35-60)85-81(89-83)64-40-22-38-62(48-64)73-44-24-46-75-76-47-25-45-74(78(76)91(77(73)75)72-42-20-7-21-43-72)63-39-23-41-65(49-63)82-86-80(61-36-18-6-19-37-61)88-84(90-82)71-54-68(58-30-12-3-13-31-58)51-69(55-71)59-32-14-4-15-33-59/h1-55H.

What are the key properties of 1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole?

1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole has a molecular weight of 1162.41 g/mol, XLogP of 21.16, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 139311961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).