4-[[2,7-dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine

C25H18Br2N2 — CID 90930230

IUPAC4-[[2,7-dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine
SMILESBrc1ccc2c(c1)C(Cc1ccncc1)(Cc1ccncc1)c1cc(Br)ccc1-2
InChIInChI=1S/C25H18Br2N2/c26-19-1-3-21-22-4-2-20(27)14-24(22)25(23(21)13-19,15-17-5-9-28-10-6-17)16-18-7-11-29-12-8-18/h1-14H,15-16H2
InChIKeyHCBTZMNDLMUABP-UHFFFAOYSA-N
MW506.24 g/mol
LogP6.75
Rot. Bonds4

About 4-[[2,7-dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine

4-[[2,7-dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine (PubChem CID 90930230) has the molecular formula C25H18Br2N2 and a molecular weight of 506.24 g/mol. Its IUPAC name is 4-[[2,7-dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[2,7-dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine
PubChem CID90930230
Molecular FormulaC25H18Br2N2
Molecular Weight506.24 g/mol
Exact Mass503.98
IUPAC Name4-[[2,7-dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine
SMILESBrc1ccc2c(c1)C(Cc1ccncc1)(Cc1ccncc1)c1cc(Br)ccc1-2
InChIInChI=1S/C25H18Br2N2/c26-19-1-3-21-22-4-2-20(27)14-24(22)25(23(21)13-19,15-17-5-9-28-10-6-17)16-18-7-11-29-12-8-18/h1-14H,15-16H2
InChIKeyHCBTZMNDLMUABP-UHFFFAOYSA-N
XLogP6.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.24
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[2,7-dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine?
The IUPAC name of 4-[[2,7-dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine (CID 90930230) is 4-[[2,7-dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine.
What is the SMILES notation for 4-[[2,7-dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine?
The canonical SMILES for 4-[[2,7-dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine is Brc1ccc2c(c1)C(Cc1ccncc1)(Cc1ccncc1)c1cc(Br)ccc1-2.
What is the InChIKey of 4-[[2,7-dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine?
The InChIKey is HCBTZMNDLMUABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Br2N2/c26-19-1-3-21-22-4-2-20(27)14-24(22)25(23(21)13-19,15-17-5-9-28-10-6-17)16-18-7-11-29-12-8-18/h1-14H,15-16H2.
What are the key properties of 4-[[2,7-dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine?
4-[[2,7-dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine has a molecular weight of 506.24 g/mol, XLogP of 6.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,7-dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine is sourced from PubChem (CID 90930230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).