4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine

C69H64N6 — CID 89022451

IUPAC4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine
SMILESCCCCCCCC1(CCCCCCC)c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)ccc2-c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc21
InChIInChI=1S/C69H64N6/c1-3-5-7-9-15-37-69(38-16-10-8-6-4-2)59-43-53(49-25-29-51(30-26-49)55-45-65(61-21-11-17-39-70-61)74-66(46-55)62-22-12-18-40-71-62)33-35-57(59)58-36-34-54(44-60(58)69)50-27-31-52(32-28-50)56-47-67(63-23-13-19-41-72-63)75-68(48-56)64-24-14-20-42-73-64/h11-14,17-36,39-48H,3-10,15-16,37-38H2,1-2H3
InChIKeyMQQGOTJKIWRSAD-UHFFFAOYSA-N
MW977.31 g/mol
LogP18.38
Rot. Bonds20

About 4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine

4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 89022451) has the molecular formula C69H64N6 and a molecular weight of 977.31 g/mol. Its IUPAC name is 4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine
PubChem CID89022451
Molecular FormulaC69H64N6
Molecular Weight977.31 g/mol
Exact Mass976.52
IUPAC Name4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine
SMILESCCCCCCCC1(CCCCCCC)c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)ccc2-c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc21
InChIInChI=1S/C69H64N6/c1-3-5-7-9-15-37-69(38-16-10-8-6-4-2)59-43-53(49-25-29-51(30-26-49)55-45-65(61-21-11-17-39-70-61)74-66(46-55)62-22-12-18-40-71-62)33-35-57(59)58-36-34-54(44-60(58)69)50-27-31-52(32-28-50)56-47-67(63-23-13-19-41-72-63)75-68(48-56)64-24-14-20-42-73-64/h11-14,17-36,39-48H,3-10,15-16,37-38H2,1-2H3
InChIKeyMQQGOTJKIWRSAD-UHFFFAOYSA-N
XLogP18.38
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.31
LogP ≤ 518.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine with MolForge

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Related Compounds

4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine
CID 67471921
4-[4-[(E)-2-(9,9-dihexylfluoren-2-yl)ethenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102147982
2-(7-nitro-9,9-dioctylfluoren-2-yl)-6-pyridin-2-ylpyridine
CID 102098891
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
4-(4-octadecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 101424880
4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 15434011
4-[4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dihexadecoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 177491486
2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
CID 102433648
9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
CID 102433644
2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine
CID 102454997
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine (CID 89022451) is 4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine is CCCCCCCC1(CCCCCCC)c2cc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)ccc2-c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc21.
What is the InChIKey of 4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is MQQGOTJKIWRSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H64N6/c1-3-5-7-9-15-37-69(38-16-10-8-6-4-2)59-43-53(49-25-29-51(30-26-49)55-45-65(61-21-11-17-39-70-61)74-66(46-55)62-22-12-18-40-71-62)33-35-57(59)58-36-34-54(44-60(58)69)50-27-31-52(32-28-50)56-47-67(63-23-13-19-41-72-63)75-68(48-56)64-24-14-20-42-73-64/h11-14,17-36,39-48H,3-10,15-16,37-38H2,1-2H3.
What are the key properties of 4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine?
4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 977.31 g/mol, XLogP of 18.38, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 89022451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).