2-(2,4-difluoro-3-isocyanophenyl)-6-[9-[6-(2,4-difluoro-3-isocyanophenyl)-2-pyridinyl]fluoren-9-yl]pyridine

C37H18F4N4 — CID 140958340

IUPAC2-(2,4-difluoro-3-isocyanophenyl)-6-[9-[6-(2,4-difluoro-3-isocyanophenyl)-2-pyridinyl]fluoren-9-yl]pyridine
SMILES[C-]#[N+]c1c(F)ccc(-c2cccc(C3(c4cccc(-c5ccc(F)c([N+]#[C-])c5F)n4)c4ccccc4-c4ccccc43)n2)c1F
InChIInChI=1S/C37H18F4N4/c1-42-35-27(38)19-17-23(33(35)40)29-13-7-15-31(44-29)37(25-11-5-3-9-21(25)22-10-4-6-12-26(22)37)32-16-8-14-30(45-32)24-18-20-28(39)36(43-2)34(24)41/h3-20H
InChIKeyPGZULBWZQWPAJO-UHFFFAOYSA-N
MW594.57 g/mol
LogP9.83
Rot. Bonds4

About 2-(2,4-difluoro-3-isocyanophenyl)-6-[9-[6-(2,4-difluoro-3-isocyanophenyl)-2-pyridinyl]fluoren-9-yl]pyridine

2-(2,4-difluoro-3-isocyanophenyl)-6-[9-[6-(2,4-difluoro-3-isocyanophenyl)-2-pyridinyl]fluoren-9-yl]pyridine (PubChem CID 140958340) has the molecular formula C37H18F4N4 and a molecular weight of 594.57 g/mol. Its IUPAC name is 2-(2,4-difluoro-3-isocyanophenyl)-6-[9-[6-(2,4-difluoro-3-isocyanophenyl)-2-pyridinyl]fluoren-9-yl]pyridine.

Molecular Properties

Compound Name2-(2,4-difluoro-3-isocyanophenyl)-6-[9-[6-(2,4-difluoro-3-isocyanophenyl)-2-pyridinyl]fluoren-9-yl]pyridine
PubChem CID140958340
Molecular FormulaC37H18F4N4
Molecular Weight594.57 g/mol
Exact Mass594.15
IUPAC Name2-(2,4-difluoro-3-isocyanophenyl)-6-[9-[6-(2,4-difluoro-3-isocyanophenyl)-2-pyridinyl]fluoren-9-yl]pyridine
SMILES[C-]#[N+]c1c(F)ccc(-c2cccc(C3(c4cccc(-c5ccc(F)c([N+]#[C-])c5F)n4)c4ccccc4-c4ccccc43)n2)c1F
InChIInChI=1S/C37H18F4N4/c1-42-35-27(38)19-17-23(33(35)40)29-13-7-15-31(44-29)37(25-11-5-3-9-21(25)22-10-4-6-12-26(22)37)32-16-8-14-30(45-32)24-18-20-28(39)36(43-2)34(24)41/h3-20H
InChIKeyPGZULBWZQWPAJO-UHFFFAOYSA-N
XLogP9.83
TPSA34.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.57
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[14-(6-bromo-2-pyridinyl)-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl]pyridine
CID 89409708
2-(2,4-difluoro-3-isocyanophenyl)-6-[diphenyl-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine
CID 59646103
2-(2,4-difluoro-3-isocyanophenyl)-4,5-dimethylpyridine
CID 140723616
2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine
CID 162425382
2-(7-fluoro-8-isocyano-9H-fluoren-1-yl)pyridine
CID 157059916
dichloromethane;platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[9-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]fluoren-9-yl]pyridine
CID 139143108
10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one
CID 89409704
2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol
CID 140806096
10-phenyl-9,9-bis(6-phenyl-2-pyridinyl)acridine
CID 71261593
2-phenyl-6-[9-(6-phenyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine
CID 71261610
CID 58036621
CID 58036621
2-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine
CID 118895356

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-3-isocyanophenyl)-6-[9-[6-(2,4-difluoro-3-isocyanophenyl)-2-pyridinyl]fluoren-9-yl]pyridine?
The IUPAC name of 2-(2,4-difluoro-3-isocyanophenyl)-6-[9-[6-(2,4-difluoro-3-isocyanophenyl)-2-pyridinyl]fluoren-9-yl]pyridine (CID 140958340) is 2-(2,4-difluoro-3-isocyanophenyl)-6-[9-[6-(2,4-difluoro-3-isocyanophenyl)-2-pyridinyl]fluoren-9-yl]pyridine.
What is the SMILES notation for 2-(2,4-difluoro-3-isocyanophenyl)-6-[9-[6-(2,4-difluoro-3-isocyanophenyl)-2-pyridinyl]fluoren-9-yl]pyridine?
The canonical SMILES for 2-(2,4-difluoro-3-isocyanophenyl)-6-[9-[6-(2,4-difluoro-3-isocyanophenyl)-2-pyridinyl]fluoren-9-yl]pyridine is [C-]#[N+]c1c(F)ccc(-c2cccc(C3(c4cccc(-c5ccc(F)c([N+]#[C-])c5F)n4)c4ccccc4-c4ccccc43)n2)c1F.
What is the InChIKey of 2-(2,4-difluoro-3-isocyanophenyl)-6-[9-[6-(2,4-difluoro-3-isocyanophenyl)-2-pyridinyl]fluoren-9-yl]pyridine?
The InChIKey is PGZULBWZQWPAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H18F4N4/c1-42-35-27(38)19-17-23(33(35)40)29-13-7-15-31(44-29)37(25-11-5-3-9-21(25)22-10-4-6-12-26(22)37)32-16-8-14-30(45-32)24-18-20-28(39)36(43-2)34(24)41/h3-20H.
What are the key properties of 2-(2,4-difluoro-3-isocyanophenyl)-6-[9-[6-(2,4-difluoro-3-isocyanophenyl)-2-pyridinyl]fluoren-9-yl]pyridine?
2-(2,4-difluoro-3-isocyanophenyl)-6-[9-[6-(2,4-difluoro-3-isocyanophenyl)-2-pyridinyl]fluoren-9-yl]pyridine has a molecular weight of 594.57 g/mol, XLogP of 9.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-3-isocyanophenyl)-6-[9-[6-(2,4-difluoro-3-isocyanophenyl)-2-pyridinyl]fluoren-9-yl]pyridine is sourced from PubChem (CID 140958340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).