9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-methylphenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole

C81H52F2N6 — CID 160834104

About 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-methylphenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole

9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-methylphenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole (PubChem CID 160834104) has the molecular formula C81H52F2N6 and a molecular weight of 1147.35 g/mol. Its IUPAC name is 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-methylphenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-methylphenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole
• PubChem CID: 160834104
• Molecular Formula: C81H52F2N6
• Molecular Weight: 1147.35 g/mol
• Exact Mass: 1146.42
• IUPAC Name: 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-methylphenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole
• SMILES: Cc1cc(-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c(-c2cc(F)cc(F)c2)c(-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1
• InChI: InChI=1S/C81H52F2N6/c1-51-38-79(88-75-42-56(60-26-34-71(84-47-60)52-14-6-2-7-15-52)22-30-67(75)68-31-23-57(43-76(68)88)61-27-35-72(85-48-61)53-16-8-3-9-17-53)81(64-40-65(82)46-66(83)41-64)80(39-51)89-77-44-58(62-28-36-73(86-49-62)54-18-10-4-11-19-54)24-32-69(77)70-33-25-59(45-78(70)89)63-29-37-74(87-50-63)55-20-12-5-13-21-55/h2-50H,1H3
• InChIKey: LJAXRPFFQAXDAJ-UHFFFAOYSA-N
• XLogP: 21.05
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1147.35
LogP ≤ 5	21.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-methylphenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole?

The IUPAC name of 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-methylphenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole (CID 160834104) is 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-methylphenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole.

What is the SMILES notation for 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-methylphenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole?

The canonical SMILES for 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-methylphenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole is Cc1cc(-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c(-c2cc(F)cc(F)c2)c(-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1.

What is the InChIKey of 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-methylphenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole?

The InChIKey is LJAXRPFFQAXDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H52F2N6/c1-51-38-79(88-75-42-56(60-26-34-71(84-47-60)52-14-6-2-7-15-52)22-30-67(75)68-31-23-57(43-76(68)88)61-27-35-72(85-48-61)53-16-8-3-9-17-53)81(64-40-65(82)46-66(83)41-64)80(39-51)89-77-44-58(62-28-36-73(86-49-62)54-18-10-4-11-19-54)24-32-69(77)70-33-25-59(45-78(70)89)63-29-37-74(87-50-63)55-20-12-5-13-21-55/h2-50H,1H3.

What are the key properties of 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-methylphenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole?

9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-methylphenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole has a molecular weight of 1147.35 g/mol, XLogP of 21.05, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-methylphenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 160834104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).