4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine

C53H36N4 — CID 177487151

IUPAC4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine
SMILESC(=C\c1ccc2c(c1)C1(c3cc(/C=C\c4ccncc4)ccc3-c3ccc(/C=C/c4ccncc4)cc31)c1cc(/C=C/c3ccncc3)ccc1-2)\c1ccncc1
InChIInChI=1S/C53H36N4/c1(37-17-25-54-26-18-37)5-41-9-13-45-46-14-10-42(6-2-38-19-27-55-28-20-38)34-50(46)53(49(45)33-41)51-35-43(7-3-39-21-29-56-30-22-39)11-15-47(51)48-16-12-44(36-52(48)53)8-4-40-23-31-57-32-24-40/h1-36H/b5-1-,6-2+,7-3-,8-4+
InChIKeySVIPCTBEOZGYRQ-LEWWQMKTSA-N
MW728.90 g/mol
LogP12.29
Rot. Bonds8

About 4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine

4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine (PubChem CID 177487151) has the molecular formula C53H36N4 and a molecular weight of 728.90 g/mol. Its IUPAC name is 4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine.

Molecular Properties

Compound Name4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine
PubChem CID177487151
Molecular FormulaC53H36N4
Molecular Weight728.90 g/mol
Exact Mass728.29
IUPAC Name4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine
SMILESC(=C\c1ccc2c(c1)C1(c3cc(/C=C\c4ccncc4)ccc3-c3ccc(/C=C/c4ccncc4)cc31)c1cc(/C=C/c3ccncc3)ccc1-2)\c1ccncc1
InChIInChI=1S/C53H36N4/c1(37-17-25-54-26-18-37)5-41-9-13-45-46-14-10-42(6-2-38-19-27-55-28-20-38)34-50(46)53(49(45)33-41)51-35-43(7-3-39-21-29-56-30-22-39)11-15-47(51)48-16-12-44(36-52(48)53)8-4-40-23-31-57-32-24-40/h1-36H/b5-1-,6-2+,7-3-,8-4+
InChIKeySVIPCTBEOZGYRQ-LEWWQMKTSA-N
XLogP12.29
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine?
The IUPAC name of 4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine (CID 177487151) is 4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine.
What is the SMILES notation for 4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine?
The canonical SMILES for 4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine is C(=C\c1ccc2c(c1)C1(c3cc(/C=C\c4ccncc4)ccc3-c3ccc(/C=C/c4ccncc4)cc31)c1cc(/C=C/c3ccncc3)ccc1-2)\c1ccncc1.
What is the InChIKey of 4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine?
The InChIKey is SVIPCTBEOZGYRQ-LEWWQMKTSA-N. The full InChI is InChI=1S/C53H36N4/c1(37-17-25-54-26-18-37)5-41-9-13-45-46-14-10-42(6-2-38-19-27-55-28-20-38)34-50(46)53(49(45)33-41)51-35-43(7-3-39-21-29-56-30-22-39)11-15-47(51)48-16-12-44(36-52(48)53)8-4-40-23-31-57-32-24-40/h1-36H/b5-1-,6-2+,7-3-,8-4+.
What are the key properties of 4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine?
4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine has a molecular weight of 728.90 g/mol, XLogP of 12.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine is sourced from PubChem (CID 177487151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).