4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium

C29H30N2+2 — CID 102213111

IUPAC4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium
SMILESCCCC1(CCC)c2cc(-c3cc[nH+]cc3)ccc2-c2ccc(-c3cc[nH+]cc3)cc21
InChIInChI=1S/C29H28N2/c1-3-13-29(14-4-2)27-19-23(21-9-15-30-16-10-21)5-7-25(27)26-8-6-24(20-28(26)29)22-11-17-31-18-12-22/h5-12,15-20H,3-4,13-14H2,1-2H3/p+2
InChIKeyIJCFQNJSQCHWCA-UHFFFAOYSA-P
MW406.57 g/mol
LogP6.52
Rot. Bonds6

About 4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium

4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium (PubChem CID 102213111) has the molecular formula C29H30N2+2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium
PubChem CID102213111
Molecular FormulaC29H30N2+2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC Name4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium
SMILESCCCC1(CCC)c2cc(-c3cc[nH+]cc3)ccc2-c2ccc(-c3cc[nH+]cc3)cc21
InChIInChI=1S/C29H28N2/c1-3-13-29(14-4-2)27-19-23(21-9-15-30-16-10-21)5-7-25(27)26-8-6-24(20-28(26)29)22-11-17-31-18-12-22/h5-12,15-20H,3-4,13-14H2,1-2H3/p+2
InChIKeyIJCFQNJSQCHWCA-UHFFFAOYSA-P
XLogP6.52
TPSA28.28 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium with MolForge

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Related Compounds

2-(4-tert-butylphenyl)-7-[7-[7-[7-(4-tert-butylphenyl)-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluoren-2-yl]-9,9-dipropylfluorene
CID 100964700
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
2-phenyl-9,9-dipropylfluorene
CID 154114384
2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 90202241
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
2-[3,5-bis(7-ethynyl-9,9-dipropylfluoren-2-yl)phenyl]-7-ethynyl-9,9-dipropylfluorene
CID 58587187
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
3-[4-[9,9-dipropyl-7-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]fluoren-2-yl]pyridin-1-ium-1-yl]propane-1-sulfonate
CID 10675746
2-(4-bromophenyl)-7-(4-methylphenyl)-9,9-dioctylfluorene
CID 71124155
4-[7-(4-cyanophenyl)-9,9-dioctylfluoren-2-yl]benzonitrile
CID 102272670
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium?
The IUPAC name of 4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium (CID 102213111) is 4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium.
What is the SMILES notation for 4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium?
The canonical SMILES for 4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium is CCCC1(CCC)c2cc(-c3cc[nH+]cc3)ccc2-c2ccc(-c3cc[nH+]cc3)cc21.
What is the InChIKey of 4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium?
The InChIKey is IJCFQNJSQCHWCA-UHFFFAOYSA-P. The full InChI is InChI=1S/C29H28N2/c1-3-13-29(14-4-2)27-19-23(21-9-15-30-16-10-21)5-7-25(27)26-8-6-24(20-28(26)29)22-11-17-31-18-12-22/h5-12,15-20H,3-4,13-14H2,1-2H3/p+2.
What are the key properties of 4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium?
4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium has a molecular weight of 406.57 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dipropyl-7-pyridin-1-ium-4-ylfluoren-2-yl)pyridin-1-ium is sourced from PubChem (CID 102213111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).