9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-2,7-di(carbazol-9-yl)carbazole

C85H49F6N7 — CID 146393817

About 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-2,7-di(carbazol-9-yl)carbazole

9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-2,7-di(carbazol-9-yl)carbazole (PubChem CID 146393817) has the molecular formula C85H49F6N7 and a molecular weight of 1282.36 g/mol. Its IUPAC name is 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-2,7-di(carbazol-9-yl)carbazole.

Molecular Properties

• Compound Name: 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-2,7-di(carbazol-9-yl)carbazole
• PubChem CID: 146393817
• Molecular Formula: C85H49F6N7
• Molecular Weight: 1282.36 g/mol
• Exact Mass: 1281.40
• IUPAC Name: 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-2,7-di(carbazol-9-yl)carbazole
• SMILES: FC(F)(F)c1cc(-c2cc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)ncc2-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc(C(F)(F)F)c1
• InChI: InChI=1S/C85H49F6N7/c86-84(87,88)51-41-50(42-52(43-51)85(89,90)91)69-48-83(98-80-46-55(95-74-29-13-5-21-61(74)62-22-6-14-30-75(62)95)35-39-67(80)68-40-36-56(47-81(68)98)96-76-31-15-7-23-63(76)64-24-8-16-32-77(64)96)92-49-82(69)97-78-44-53(93-70-25-9-1-17-57(70)58-18-2-10-26-71(58)93)33-37-65(78)66-38-34-54(45-79(66)97)94-72-27-11-3-19-59(72)60-20-4-12-28-73(60)94/h1-49H
• InChIKey: BLXHOZSZBKFCAV-UHFFFAOYSA-N
• XLogP: 23.37
• TPSA: 42.47 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1282.36
LogP ≤ 5	23.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-2,7-di(carbazol-9-yl)carbazole?

The IUPAC name of 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-2,7-di(carbazol-9-yl)carbazole (CID 146393817) is 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-2,7-di(carbazol-9-yl)carbazole.

What is the SMILES notation for 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-2,7-di(carbazol-9-yl)carbazole?

The canonical SMILES for 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-2,7-di(carbazol-9-yl)carbazole is FC(F)(F)c1cc(-c2cc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)ncc2-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc(C(F)(F)F)c1.

What is the InChIKey of 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-2,7-di(carbazol-9-yl)carbazole?

The InChIKey is BLXHOZSZBKFCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H49F6N7/c86-84(87,88)51-41-50(42-52(43-51)85(89,90)91)69-48-83(98-80-46-55(95-74-29-13-5-21-61(74)62-22-6-14-30-75(62)95)35-39-67(80)68-40-36-56(47-81(68)98)96-76-31-15-7-23-63(76)64-24-8-16-32-77(64)96)92-49-82(69)97-78-44-53(93-70-25-9-1-17-57(70)58-18-2-10-26-71(58)93)33-37-65(78)66-38-34-54(45-79(66)97)94-72-27-11-3-19-59(72)60-20-4-12-28-73(60)94/h1-49H.

What are the key properties of 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-2,7-di(carbazol-9-yl)carbazole?

9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-2,7-di(carbazol-9-yl)carbazole has a molecular weight of 1282.36 g/mol, XLogP of 23.37, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]-2,7-di(carbazol-9-yl)carbazole is sourced from PubChem (CID 146393817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).