9-[4-[3-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole

C51H32F3N5 — CID 67949352

IUPAC9-[4-[3-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccccc3)cc(-c3cccc(-c4ccc(-n5c6ccc(-c7ccccn7)cc6c6cc(-c7ccccn7)ccc65)cc4)c3)n2)cc1
InChIInChI=1S/C51H32F3N5/c52-51(53,54)40-21-15-35(16-22-40)50-57-46(34-9-2-1-3-10-34)32-47(58-50)37-12-8-11-36(29-37)33-17-23-41(24-18-33)59-48-25-19-38(44-13-4-6-27-55-44)30-42(48)43-31-39(20-26-49(43)59)45-14-5-7-28-56-45/h1-32H
InChIKeyYVKCISBRWHTRJW-UHFFFAOYSA-N
MW771.85 g/mol
LogP13.38
Rot. Bonds7

About 9-[4-[3-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole

9-[4-[3-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole (PubChem CID 67949352) has the molecular formula C51H32F3N5 and a molecular weight of 771.85 g/mol. Its IUPAC name is 9-[4-[3-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole.

Molecular Properties

Compound Name9-[4-[3-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole
PubChem CID67949352
Molecular FormulaC51H32F3N5
Molecular Weight771.85 g/mol
Exact Mass771.26
IUPAC Name9-[4-[3-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccccc3)cc(-c3cccc(-c4ccc(-n5c6ccc(-c7ccccn7)cc6c6cc(-c7ccccn7)ccc65)cc4)c3)n2)cc1
InChIInChI=1S/C51H32F3N5/c52-51(53,54)40-21-15-35(16-22-40)50-57-46(34-9-2-1-3-10-34)32-47(58-50)37-12-8-11-36(29-37)33-17-23-41(24-18-33)59-48-25-19-38(44-13-4-6-27-55-44)30-42(48)43-31-39(20-26-49(43)59)45-14-5-7-28-56-45/h1-32H
InChIKeyYVKCISBRWHTRJW-UHFFFAOYSA-N
XLogP13.38
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.85
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4-[3-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole?
The IUPAC name of 9-[4-[3-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole (CID 67949352) is 9-[4-[3-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole.
What is the SMILES notation for 9-[4-[3-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole?
The canonical SMILES for 9-[4-[3-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole is FC(F)(F)c1ccc(-c2nc(-c3ccccc3)cc(-c3cccc(-c4ccc(-n5c6ccc(-c7ccccn7)cc6c6cc(-c7ccccn7)ccc65)cc4)c3)n2)cc1.
What is the InChIKey of 9-[4-[3-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole?
The InChIKey is YVKCISBRWHTRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32F3N5/c52-51(53,54)40-21-15-35(16-22-40)50-57-46(34-9-2-1-3-10-34)32-47(58-50)37-12-8-11-36(29-37)33-17-23-41(24-18-33)59-48-25-19-38(44-13-4-6-27-55-44)30-42(48)43-31-39(20-26-49(43)59)45-14-5-7-28-56-45/h1-32H.
What are the key properties of 9-[4-[3-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole?
9-[4-[3-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole has a molecular weight of 771.85 g/mol, XLogP of 13.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole is sourced from PubChem (CID 67949352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).