spiro[1,3,5,8-tetrahydrocyclopenta[g]naphthalene-2,9'-fluorene]-6,6,7,7-tetracarbonitrile

C29H18N4 — CID 155929360

IUPACspiro[1,3,5,8-tetrahydrocyclopenta[g]naphthalene-2,9'-fluorene]-6,6,7,7-tetracarbonitrile
SMILESN#CC1(C#N)Cc2cc3c(cc2CC1(C#N)C#N)CC1(C3)c2ccccc2-c2ccccc21
InChIInChI=1S/C29H18N4/c30-15-27(16-31)11-19-9-21-13-29(14-22(21)10-20(19)12-28(27,17-32)18-33)25-7-3-1-5-23(25)24-6-2-4-8-26(24)29/h1-10H,11-14H2
InChIKeyYFTPWWHVIXVFBD-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.92
Rot. Bonds

About spiro[1,3,5,8-tetrahydrocyclopenta[g]naphthalene-2,9'-fluorene]-6,6,7,7-tetracarbonitrile

spiro[1,3,5,8-tetrahydrocyclopenta[g]naphthalene-2,9'-fluorene]-6,6,7,7-tetracarbonitrile (PubChem CID 155929360) has the molecular formula C29H18N4 and a molecular weight of 422.49 g/mol. Its IUPAC name is spiro[1,3,5,8-tetrahydrocyclopenta[g]naphthalene-2,9'-fluorene]-6,6,7,7-tetracarbonitrile.

Molecular Properties

Compound Namespiro[1,3,5,8-tetrahydrocyclopenta[g]naphthalene-2,9'-fluorene]-6,6,7,7-tetracarbonitrile
PubChem CID155929360
Molecular FormulaC29H18N4
Molecular Weight422.49 g/mol
Exact Mass422.15
IUPAC Namespiro[1,3,5,8-tetrahydrocyclopenta[g]naphthalene-2,9'-fluorene]-6,6,7,7-tetracarbonitrile
SMILESN#CC1(C#N)Cc2cc3c(cc2CC1(C#N)C#N)CC1(C3)c2ccccc2-c2ccccc21
InChIInChI=1S/C29H18N4/c30-15-27(16-31)11-19-9-21-13-29(14-22(21)10-20(19)12-28(27,17-32)18-33)25-7-3-1-5-23(25)24-6-2-4-8-26(24)29/h1-10H,11-14H2
InChIKeyYFTPWWHVIXVFBD-UHFFFAOYSA-N
XLogP4.92
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_cyano_A(23)', 'substructure': 'N/A'}

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Related Compounds

5-phenylspiro[1,3-dihydroindene-2,9'-fluorene]
CID 58793089
2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
CID 58814378
2'-(3-methyl-5-spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]-2'-ylphenyl)spiro[1,3-dihydrocyclopenta[b]naphthalene-2,9'-fluorene]
CID 58793008
spiro[cyclopropane-2,9'-fluorene]-1-carbonitrile
CID 19756098
2'-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylbenzo[c]phenanthren-8-yl)spiro[1,3-dihydroindene-2,9'-fluorene]
CID 59282121
spiro[cyclopentane-1,9'-fluorene]-1'-carbonitrile
CID 23151763
9-(difluoromethyl)fluorene-9-carbonitrile
CID 138967721
10-methylidenespiro[anthracene-9,1'-cyclopropane]
CID 12648503
spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione
CID 44725575
1-ethyl-4-oxo-2,3-dihydronaphthalene-1-carbonitrile
CID 154210806
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
9,9-dimethylfluorene-4-carbonitrile
CID 67375715

Frequently Asked Questions

What is the IUPAC name of spiro[1,3,5,8-tetrahydrocyclopenta[g]naphthalene-2,9'-fluorene]-6,6,7,7-tetracarbonitrile?
The IUPAC name of spiro[1,3,5,8-tetrahydrocyclopenta[g]naphthalene-2,9'-fluorene]-6,6,7,7-tetracarbonitrile (CID 155929360) is spiro[1,3,5,8-tetrahydrocyclopenta[g]naphthalene-2,9'-fluorene]-6,6,7,7-tetracarbonitrile.
What is the SMILES notation for spiro[1,3,5,8-tetrahydrocyclopenta[g]naphthalene-2,9'-fluorene]-6,6,7,7-tetracarbonitrile?
The canonical SMILES for spiro[1,3,5,8-tetrahydrocyclopenta[g]naphthalene-2,9'-fluorene]-6,6,7,7-tetracarbonitrile is N#CC1(C#N)Cc2cc3c(cc2CC1(C#N)C#N)CC1(C3)c2ccccc2-c2ccccc21.
What is the InChIKey of spiro[1,3,5,8-tetrahydrocyclopenta[g]naphthalene-2,9'-fluorene]-6,6,7,7-tetracarbonitrile?
The InChIKey is YFTPWWHVIXVFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N4/c30-15-27(16-31)11-19-9-21-13-29(14-22(21)10-20(19)12-28(27,17-32)18-33)25-7-3-1-5-23(25)24-6-2-4-8-26(24)29/h1-10H,11-14H2.
What are the key properties of spiro[1,3,5,8-tetrahydrocyclopenta[g]naphthalene-2,9'-fluorene]-6,6,7,7-tetracarbonitrile?
spiro[1,3,5,8-tetrahydrocyclopenta[g]naphthalene-2,9'-fluorene]-6,6,7,7-tetracarbonitrile has a molecular weight of 422.49 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3,5,8-tetrahydrocyclopenta[g]naphthalene-2,9'-fluorene]-6,6,7,7-tetracarbonitrile is sourced from PubChem (CID 155929360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).