4-chloro-3-(9,9-dimethyl-6-pyridin-3-ylfluoren-3-yl)pyridine

C25H19ClN2 — CID 169262127

IUPAC4-chloro-3-(9,9-dimethyl-6-pyridin-3-ylfluoren-3-yl)pyridine
SMILESCC1(C)c2ccc(-c3cccnc3)cc2-c2cc(-c3cnccc3Cl)ccc21
InChIInChI=1S/C25H19ClN2/c1-25(2)22-7-5-16(18-4-3-10-27-14-18)12-19(22)20-13-17(6-8-23(20)25)21-15-28-11-9-24(21)26/h3-15H,1-2H3
InChIKeyDWIQMQQWOLEYLZ-UHFFFAOYSA-N
MW382.89 g/mol
LogP6.77
Rot. Bonds2

About 4-chloro-3-(9,9-dimethyl-6-pyridin-3-ylfluoren-3-yl)pyridine

4-chloro-3-(9,9-dimethyl-6-pyridin-3-ylfluoren-3-yl)pyridine (PubChem CID 169262127) has the molecular formula C25H19ClN2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 4-chloro-3-(9,9-dimethyl-6-pyridin-3-ylfluoren-3-yl)pyridine.

Molecular Properties

Compound Name4-chloro-3-(9,9-dimethyl-6-pyridin-3-ylfluoren-3-yl)pyridine
PubChem CID169262127
Molecular FormulaC25H19ClN2
Molecular Weight382.89 g/mol
Exact Mass382.12
IUPAC Name4-chloro-3-(9,9-dimethyl-6-pyridin-3-ylfluoren-3-yl)pyridine
SMILESCC1(C)c2ccc(-c3cccnc3)cc2-c2cc(-c3cnccc3Cl)ccc21
InChIInChI=1S/C25H19ClN2/c1-25(2)22-7-5-16(18-4-3-10-27-14-18)12-19(22)20-13-17(6-8-23(20)25)21-15-28-11-9-24(21)26/h3-15H,1-2H3
InChIKeyDWIQMQQWOLEYLZ-UHFFFAOYSA-N
XLogP6.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(9,9-dimethyl-6-pyridin-3-ylfluoren-3-yl)pyridine?
The IUPAC name of 4-chloro-3-(9,9-dimethyl-6-pyridin-3-ylfluoren-3-yl)pyridine (CID 169262127) is 4-chloro-3-(9,9-dimethyl-6-pyridin-3-ylfluoren-3-yl)pyridine.
What is the SMILES notation for 4-chloro-3-(9,9-dimethyl-6-pyridin-3-ylfluoren-3-yl)pyridine?
The canonical SMILES for 4-chloro-3-(9,9-dimethyl-6-pyridin-3-ylfluoren-3-yl)pyridine is CC1(C)c2ccc(-c3cccnc3)cc2-c2cc(-c3cnccc3Cl)ccc21.
What is the InChIKey of 4-chloro-3-(9,9-dimethyl-6-pyridin-3-ylfluoren-3-yl)pyridine?
The InChIKey is DWIQMQQWOLEYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2/c1-25(2)22-7-5-16(18-4-3-10-27-14-18)12-19(22)20-13-17(6-8-23(20)25)21-15-28-11-9-24(21)26/h3-15H,1-2H3.
What are the key properties of 4-chloro-3-(9,9-dimethyl-6-pyridin-3-ylfluoren-3-yl)pyridine?
4-chloro-3-(9,9-dimethyl-6-pyridin-3-ylfluoren-3-yl)pyridine has a molecular weight of 382.89 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(9,9-dimethyl-6-pyridin-3-ylfluoren-3-yl)pyridine is sourced from PubChem (CID 169262127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).