4-(9,9-diethyl-7-pyridin-4-ylfluoren-2-yl)pyridine

C27H24N2 — CID 122383953

IUPAC4-(9,9-diethyl-7-pyridin-4-ylfluoren-2-yl)pyridine
SMILESCCC1(CC)c2cc(-c3ccncc3)ccc2-c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C27H24N2/c1-3-27(4-2)25-17-21(19-9-13-28-14-10-19)5-7-23(25)24-8-6-22(18-26(24)27)20-11-15-29-16-12-20/h5-18H,3-4H2,1-2H3
InChIKeyLPNHKDNMNBPTJN-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.90
Rot. Bonds4

About 4-(9,9-diethyl-7-pyridin-4-ylfluoren-2-yl)pyridine

4-(9,9-diethyl-7-pyridin-4-ylfluoren-2-yl)pyridine (PubChem CID 122383953) has the molecular formula C27H24N2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-(9,9-diethyl-7-pyridin-4-ylfluoren-2-yl)pyridine.

Molecular Properties

Compound Name4-(9,9-diethyl-7-pyridin-4-ylfluoren-2-yl)pyridine
PubChem CID122383953
Molecular FormulaC27H24N2
Molecular Weight376.50 g/mol
Exact Mass376.19
IUPAC Name4-(9,9-diethyl-7-pyridin-4-ylfluoren-2-yl)pyridine
SMILESCCC1(CC)c2cc(-c3ccncc3)ccc2-c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C27H24N2/c1-3-27(4-2)25-17-21(19-9-13-28-14-10-19)5-7-23(25)24-8-6-22(18-26(24)27)20-11-15-29-16-12-20/h5-18H,3-4H2,1-2H3
InChIKeyLPNHKDNMNBPTJN-UHFFFAOYSA-N
XLogP6.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(9,9-diethyl-7-pyridin-4-ylfluoren-2-yl)pyridine?
The IUPAC name of 4-(9,9-diethyl-7-pyridin-4-ylfluoren-2-yl)pyridine (CID 122383953) is 4-(9,9-diethyl-7-pyridin-4-ylfluoren-2-yl)pyridine.
What is the SMILES notation for 4-(9,9-diethyl-7-pyridin-4-ylfluoren-2-yl)pyridine?
The canonical SMILES for 4-(9,9-diethyl-7-pyridin-4-ylfluoren-2-yl)pyridine is CCC1(CC)c2cc(-c3ccncc3)ccc2-c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 4-(9,9-diethyl-7-pyridin-4-ylfluoren-2-yl)pyridine?
The InChIKey is LPNHKDNMNBPTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2/c1-3-27(4-2)25-17-21(19-9-13-28-14-10-19)5-7-23(25)24-8-6-22(18-26(24)27)20-11-15-29-16-12-20/h5-18H,3-4H2,1-2H3.
What are the key properties of 4-(9,9-diethyl-7-pyridin-4-ylfluoren-2-yl)pyridine?
4-(9,9-diethyl-7-pyridin-4-ylfluoren-2-yl)pyridine has a molecular weight of 376.50 g/mol, XLogP of 6.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-diethyl-7-pyridin-4-ylfluoren-2-yl)pyridine is sourced from PubChem (CID 122383953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).