4-[9-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-7-pyridin-4-ylfluoren-2-yl]pyridine

C37H26N2 — CID 137350432

IUPAC4-[9-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-7-pyridin-4-ylfluoren-2-yl]pyridine
SMILESCC1Cc2ccc3ccccc3c2C1=C1c2cc(-c3ccncc3)ccc2-c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C37H26N2/c1-23-20-29-7-6-26-4-2-3-5-30(26)36(29)35(23)37-33-21-27(24-12-16-38-17-13-24)8-10-31(33)32-11-9-28(22-34(32)37)25-14-18-39-19-15-25/h2-19,21-23H,20H2,1H3
InChIKeyLYLLTSBJXULUEY-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.10
Rot. Bonds2

About 4-[9-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-7-pyridin-4-ylfluoren-2-yl]pyridine

4-[9-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-7-pyridin-4-ylfluoren-2-yl]pyridine (PubChem CID 137350432) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 4-[9-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-7-pyridin-4-ylfluoren-2-yl]pyridine.

Molecular Properties

Compound Name4-[9-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-7-pyridin-4-ylfluoren-2-yl]pyridine
PubChem CID137350432
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name4-[9-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-7-pyridin-4-ylfluoren-2-yl]pyridine
SMILESCC1Cc2ccc3ccccc3c2C1=C1c2cc(-c3ccncc3)ccc2-c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C37H26N2/c1-23-20-29-7-6-26-4-2-3-5-30(26)36(29)35(23)37-33-21-27(24-12-16-38-17-13-24)8-10-31(33)32-11-9-28(22-34(32)37)25-14-18-39-19-15-25/h2-19,21-23H,20H2,1H3
InChIKeyLYLLTSBJXULUEY-UHFFFAOYSA-N
XLogP9.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1,2-Dihydroacenaphthylen-3-yl)pyridine
CID 11586681
3-(3-Benzylnaphthalen-2-yl)pyridine
CID 25130517
4-{[(1E)-6-methyl-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539803
(4-Pyridylmethylene)indane 22b
CID 6539804
(3-Pyridylmethylene)indane 37a
CID 6539819
3-(1,2-Dihydroacenaphthylen-5-yl)pyridine
CID 23644953
4-[6-(4-Fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine
CID 25033726
4-[5-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]pyridine
CID 25033807
4-[6-(3,4-Difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine
CID 25033809
3-(9-Phenanthryl)pyridine
CID 11687499
JH-VIII-49
CID 133081964
4-[6-(4-Fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride
CID 25033725

Frequently Asked Questions

What is the IUPAC name of 4-[9-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-7-pyridin-4-ylfluoren-2-yl]pyridine?
The IUPAC name of 4-[9-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-7-pyridin-4-ylfluoren-2-yl]pyridine (CID 137350432) is 4-[9-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-7-pyridin-4-ylfluoren-2-yl]pyridine.
What is the SMILES notation for 4-[9-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-7-pyridin-4-ylfluoren-2-yl]pyridine?
The canonical SMILES for 4-[9-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-7-pyridin-4-ylfluoren-2-yl]pyridine is CC1Cc2ccc3ccccc3c2C1=C1c2cc(-c3ccncc3)ccc2-c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 4-[9-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-7-pyridin-4-ylfluoren-2-yl]pyridine?
The InChIKey is LYLLTSBJXULUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-23-20-29-7-6-26-4-2-3-5-30(26)36(29)35(23)37-33-21-27(24-12-16-38-17-13-24)8-10-31(33)32-11-9-28(22-34(32)37)25-14-18-39-19-15-25/h2-19,21-23H,20H2,1H3.
What are the key properties of 4-[9-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-7-pyridin-4-ylfluoren-2-yl]pyridine?
4-[9-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-7-pyridin-4-ylfluoren-2-yl]pyridine has a molecular weight of 498.63 g/mol, XLogP of 9.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-7-pyridin-4-ylfluoren-2-yl]pyridine is sourced from PubChem (CID 137350432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).