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

C77H46F6N6 — CID 147187982

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

9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2,4-bis(trifluoromethyl)phenyl]carbazole (PubChem CID 147187982) has the molecular formula C77H46F6N6 and a molecular weight of 1169.25 g/mol. Its IUPAC name is 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2,4-bis(trifluoromethyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2,4-bis(trifluoromethyl)phenyl]carbazole
• PubChem CID: 147187982
• Molecular Formula: C77H46F6N6
• Molecular Weight: 1169.25 g/mol
• Exact Mass: 1168.37
• IUPAC Name: 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2,4-bis(trifluoromethyl)phenyl]carbazole
• SMILES: FC(F)(F)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C(F)(F)F)c1
• InChI: InChI=1S/C77H46F6N6/c78-76(79,80)51-40-41-52(63(46-51)77(81,82)83)49-39-42-71-60(43-49)57-29-11-20-38-70(57)89(71)72-61(58-30-12-18-36-68(58)87-64-32-14-7-25-53(64)54-26-8-15-33-65(54)87)44-50(75-85-73(47-21-3-1-4-22-47)84-74(86-75)48-23-5-2-6-24-48)45-62(72)59-31-13-19-37-69(59)88-66-34-16-9-27-55(66)56-28-10-17-35-67(56)88/h1-46H
• InChIKey: CAWHVEDWZBMARZ-UHFFFAOYSA-N
• XLogP: 21.20
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1169.25
LogP ≤ 5	21.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2,4-bis(trifluoromethyl)phenyl]carbazole (CID 147187982) is 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2,4-bis(trifluoromethyl)phenyl]carbazole.

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

The canonical SMILES for 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2,4-bis(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C(F)(F)F)c1.

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

The InChIKey is CAWHVEDWZBMARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H46F6N6/c78-76(79,80)51-40-41-52(63(46-51)77(81,82)83)49-39-42-71-60(43-49)57-29-11-20-38-70(57)89(71)72-61(58-30-12-18-36-68(58)87-64-32-14-7-25-53(64)54-26-8-15-33-65(54)87)44-50(75-85-73(47-21-3-1-4-22-47)84-74(86-75)48-23-5-2-6-24-48)45-62(72)59-31-13-19-37-69(59)88-66-34-16-9-27-55(66)56-28-10-17-35-67(56)88/h1-46H.

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

9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2,4-bis(trifluoromethyl)phenyl]carbazole has a molecular weight of 1169.25 g/mol, XLogP of 21.20, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2,4-bis(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 147187982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).