9-[2-[2,4-difluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydrocarbazole

C26H17F9N2 — CID 59643859

IUPAC9-[2-[2,4-difluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydrocarbazole
SMILESFc1ccc(-c2cc(-n3c4c(c5ccccc53)CCCC4)ccn2)c(F)c1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C26H17F9N2/c27-18-10-9-17(23(28)22(18)24(29,25(30,31)32)26(33,34)35)19-13-14(11-12-36-19)37-20-7-3-1-5-15(20)16-6-2-4-8-21(16)37/h1,3,5,7,9-13H,2,4,6,8H2
InChIKeyQSYMLYZWKUNBMR-UHFFFAOYSA-N
MW528.42 g/mol
LogP8.14
Rot. Bonds3

About 9-[2-[2,4-difluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydrocarbazole

9-[2-[2,4-difluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydrocarbazole (PubChem CID 59643859) has the molecular formula C26H17F9N2 and a molecular weight of 528.42 g/mol. Its IUPAC name is 9-[2-[2,4-difluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name9-[2-[2,4-difluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydrocarbazole
PubChem CID59643859
Molecular FormulaC26H17F9N2
Molecular Weight528.42 g/mol
Exact Mass528.12
IUPAC Name9-[2-[2,4-difluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydrocarbazole
SMILESFc1ccc(-c2cc(-n3c4c(c5ccccc53)CCCC4)ccn2)c(F)c1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C26H17F9N2/c27-18-10-9-17(23(28)22(18)24(29,25(30,31)32)26(33,34)35)19-13-14(11-12-36-19)37-20-7-3-1-5-15(20)16-6-2-4-8-21(16)37/h1,3,5,7,9-13H,2,4,6,8H2
InChIKeyQSYMLYZWKUNBMR-UHFFFAOYSA-N
XLogP8.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.42
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[2-(2,3-difluorophenyl)-4-pyridinyl]carbazole
CID 68513665
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4-(3,5-dimethylphenyl)-2,3-dihydro-1H-cyclopenta[b]indole
CID 58028341
9-[2-(4-fluorophenyl)-4-pyridinyl]carbazole
CID 59546711
10-(4-chlorophenyl)-1,2,3,4-tetrahydroacridin-9-one
CID 165354564
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CID 69192503
9-[2-(1,1-difluoroethyl)-4-methylphenyl]-1,2,3,4-tetrahydrocarbazole
CID 138526952
4-bromo-2-[2,4-difluoro-3-(trifluoromethyl)phenyl]pyridine
CID 141396417
5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole
CID 58663550
9-[2-(2,3,4-trifluorophenyl)pyrimidin-5-yl]carbazole
CID 141380983
9-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]carbazole
CID 58401260
14-(3-carbazol-9-ylphenyl)-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20)-heptaene
CID 90055350

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2,4-difluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 9-[2-[2,4-difluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydrocarbazole (CID 59643859) is 9-[2-[2,4-difluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 9-[2-[2,4-difluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 9-[2-[2,4-difluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydrocarbazole is Fc1ccc(-c2cc(-n3c4c(c5ccccc53)CCCC4)ccn2)c(F)c1C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 9-[2-[2,4-difluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydrocarbazole?
The InChIKey is QSYMLYZWKUNBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F9N2/c27-18-10-9-17(23(28)22(18)24(29,25(30,31)32)26(33,34)35)19-13-14(11-12-36-19)37-20-7-3-1-5-15(20)16-6-2-4-8-21(16)37/h1,3,5,7,9-13H,2,4,6,8H2.
What are the key properties of 9-[2-[2,4-difluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydrocarbazole?
9-[2-[2,4-difluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydrocarbazole has a molecular weight of 528.42 g/mol, XLogP of 8.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2,4-difluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 59643859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).