9-cyclohexa-2,4-dien-1-yl-3-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4-yl-6-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4'-ylcarbazole

C68H47N — CID 123809442

IUPAC9-cyclohexa-2,4-dien-1-yl-3-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4-yl-6-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4'-ylcarbazole
SMILESC1=CCC(n2c3ccc(C4=C5C(=CCC4)C4(c6ccccc65)c5ccccc5-c5ccccc54)cc3c3cc(-c4cccc5c4-c4ccccc4C54C5=CCCC=C5c5ccccc54)ccc32)C=C1
InChIInChI=1S/C68H47N/c1-2-18-44(19-3-1)69-63-38-36-42(45-26-16-34-61-65(45)51-24-8-14-32-59(51)67(61)55-28-10-4-20-47(55)48-21-5-11-29-56(48)67)40-53(63)54-41-43(37-39-64(54)69)46-27-17-35-62-66(46)52-25-9-15-33-60(52)68(62)57-30-12-6-22-49(57)50-23-7-13-31-58(50)68/h1-6,8-12,14-15,17-18,20-25,27-41,44H,7,13,16,19,26H2
InChIKeySRPAIRPBKWTPFS-UHFFFAOYSA-N
MW878.13 g/mol
LogP16.91
Rot. Bonds3

About 9-cyclohexa-2,4-dien-1-yl-3-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4-yl-6-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4'-ylcarbazole

9-cyclohexa-2,4-dien-1-yl-3-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4-yl-6-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4'-ylcarbazole (PubChem CID 123809442) has the molecular formula C68H47N and a molecular weight of 878.13 g/mol. Its IUPAC name is 9-cyclohexa-2,4-dien-1-yl-3-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4-yl-6-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4'-ylcarbazole.

Molecular Properties

Compound Name9-cyclohexa-2,4-dien-1-yl-3-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4-yl-6-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4'-ylcarbazole
PubChem CID123809442
Molecular FormulaC68H47N
Molecular Weight878.13 g/mol
Exact Mass877.37
IUPAC Name9-cyclohexa-2,4-dien-1-yl-3-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4-yl-6-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4'-ylcarbazole
SMILESC1=CCC(n2c3ccc(C4=C5C(=CCC4)C4(c6ccccc65)c5ccccc5-c5ccccc54)cc3c3cc(-c4cccc5c4-c4ccccc4C54C5=CCCC=C5c5ccccc54)ccc32)C=C1
InChIInChI=1S/C68H47N/c1-2-18-44(19-3-1)69-63-38-36-42(45-26-16-34-61-65(45)51-24-8-14-32-59(51)67(61)55-28-10-4-20-47(55)48-21-5-11-29-56(48)67)40-53(63)54-41-43(37-39-64(54)69)46-27-17-35-62-66(46)52-25-9-15-33-60(52)68(62)57-30-12-6-22-49(57)50-23-7-13-31-58(50)68/h1-6,8-12,14-15,17-18,20-25,27-41,44H,7,13,16,19,26H2
InChIKeySRPAIRPBKWTPFS-UHFFFAOYSA-N
XLogP16.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.13
LogP ≤ 516.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-cyclohexa-2,4-dien-1-yl-3-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4-yl-6-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4'-ylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-2,4-dien-1-yl-3-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4-yl-6-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4'-ylcarbazole?
The IUPAC name of 9-cyclohexa-2,4-dien-1-yl-3-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4-yl-6-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4'-ylcarbazole (CID 123809442) is 9-cyclohexa-2,4-dien-1-yl-3-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4-yl-6-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4'-ylcarbazole.
What is the SMILES notation for 9-cyclohexa-2,4-dien-1-yl-3-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4-yl-6-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4'-ylcarbazole?
The canonical SMILES for 9-cyclohexa-2,4-dien-1-yl-3-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4-yl-6-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4'-ylcarbazole is C1=CCC(n2c3ccc(C4=C5C(=CCC4)C4(c6ccccc65)c5ccccc5-c5ccccc54)cc3c3cc(-c4cccc5c4-c4ccccc4C54C5=CCCC=C5c5ccccc54)ccc32)C=C1.
What is the InChIKey of 9-cyclohexa-2,4-dien-1-yl-3-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4-yl-6-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4'-ylcarbazole?
The InChIKey is SRPAIRPBKWTPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N/c1-2-18-44(19-3-1)69-63-38-36-42(45-26-16-34-61-65(45)51-24-8-14-32-59(51)67(61)55-28-10-4-20-47(55)48-21-5-11-29-56(48)67)40-53(63)54-41-43(37-39-64(54)69)46-27-17-35-62-66(46)52-25-9-15-33-60(52)68(62)57-30-12-6-22-49(57)50-23-7-13-31-58(50)68/h1-6,8-12,14-15,17-18,20-25,27-41,44H,7,13,16,19,26H2.
What are the key properties of 9-cyclohexa-2,4-dien-1-yl-3-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4-yl-6-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4'-ylcarbazole?
9-cyclohexa-2,4-dien-1-yl-3-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4-yl-6-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4'-ylcarbazole has a molecular weight of 878.13 g/mol, XLogP of 16.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-2,4-dien-1-yl-3-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4-yl-6-spiro[2,3-dihydrofluorene-9,9'-fluorene]-4'-ylcarbazole is sourced from PubChem (CID 123809442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).