2',7'-bis[4-[(E)-2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]

C66H50 — CID 58645127

IUPAC2',7'-bis[4-[(E)-2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]
SMILESC1=CC2=CC=C3C=CC(/C=C/c4ccc(-c5ccc6c(c5)C5(CCCCC5)c5cc(-c7ccc(/C=C/C8=C9C=CC%10=CC=CC%11=CC=C(C=C8)C9C%10%11)cc7)ccc5-6)cc4)=C4C=CC(=C1)C2C34
InChIInChI=1S/C66H50/c1-2-38-66(39-3-1)60-40-54(44-16-10-42(11-17-44)14-20-46-22-24-52-28-26-48-6-4-8-50-30-34-56(46)64(52)62(48)50)32-36-58(60)59-37-33-55(41-61(59)66)45-18-12-43(13-19-45)15-21-47-23-25-53-29-27-49-7-5-9-51-31-35-57(47)65(53)63(49)51/h4-37,40-41,62-65H,1-3,38-39H2/b20-14+,21-15+
InChIKeyCWRTVWAZODAIOR-OZNQKUEASA-N
MW843.13 g/mol
LogP16.34
Rot. Bonds6

About 2',7'-bis[4-[(E)-2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]

2',7'-bis[4-[(E)-2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene] (PubChem CID 58645127) has the molecular formula C66H50 and a molecular weight of 843.13 g/mol. Its IUPAC name is 2',7'-bis[4-[(E)-2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene].

Molecular Properties

Compound Name2',7'-bis[4-[(E)-2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]
PubChem CID58645127
Molecular FormulaC66H50
Molecular Weight843.13 g/mol
Exact Mass842.39
IUPAC Name2',7'-bis[4-[(E)-2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]
SMILESC1=CC2=CC=C3C=CC(/C=C/c4ccc(-c5ccc6c(c5)C5(CCCCC5)c5cc(-c7ccc(/C=C/C8=C9C=CC%10=CC=CC%11=CC=C(C=C8)C9C%10%11)cc7)ccc5-6)cc4)=C4C=CC(=C1)C2C34
InChIInChI=1S/C66H50/c1-2-38-66(39-3-1)60-40-54(44-16-10-42(11-17-44)14-20-46-22-24-52-28-26-48-6-4-8-50-30-34-56(46)64(52)62(48)50)32-36-58(60)59-37-33-55(41-61(59)66)45-18-12-43(13-19-45)15-21-47-23-25-53-29-27-49-7-5-9-51-31-35-57(47)65(53)63(49)51/h4-37,40-41,62-65H,1-3,38-39H2/b20-14+,21-15+
InChIKeyCWRTVWAZODAIOR-OZNQKUEASA-N
XLogP16.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.13
LogP ≤ 516.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2',7'-bis[4-[(E)-2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene] with MolForge

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Related Compounds

2',7'-bis[4-[2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]
CID 90741076
2',7'-bis[(E)-2-phenylethenyl]spiro[cyclohexane-1,9'-fluorene]
CID 59217211
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene]
CID 58814373
7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440822
7'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440631
1-[4-[4-[4-[7-[7-[4-[4-[4-(10,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-10b,10c-dihydropyrene
CID 123595825
2'-[4-[(E)-2-(4-methyl-4,5-dihydropyren-1-yl)ethenyl]phenyl]-7'-[4-[(E)-2-pyren-1-ylethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]
CID 143227233
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061276
2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160674553
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061273
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159514358

Frequently Asked Questions

What is the IUPAC name of 2',7'-bis[4-[(E)-2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]?
The IUPAC name of 2',7'-bis[4-[(E)-2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene] (CID 58645127) is 2',7'-bis[4-[(E)-2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene].
What is the SMILES notation for 2',7'-bis[4-[(E)-2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]?
The canonical SMILES for 2',7'-bis[4-[(E)-2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene] is C1=CC2=CC=C3C=CC(/C=C/c4ccc(-c5ccc6c(c5)C5(CCCCC5)c5cc(-c7ccc(/C=C/C8=C9C=CC%10=CC=CC%11=CC=C(C=C8)C9C%10%11)cc7)ccc5-6)cc4)=C4C=CC(=C1)C2C34.
What is the InChIKey of 2',7'-bis[4-[(E)-2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]?
The InChIKey is CWRTVWAZODAIOR-OZNQKUEASA-N. The full InChI is InChI=1S/C66H50/c1-2-38-66(39-3-1)60-40-54(44-16-10-42(11-17-44)14-20-46-22-24-52-28-26-48-6-4-8-50-30-34-56(46)64(52)62(48)50)32-36-58(60)59-37-33-55(41-61(59)66)45-18-12-43(13-19-45)15-21-47-23-25-53-29-27-49-7-5-9-51-31-35-57(47)65(53)63(49)51/h4-37,40-41,62-65H,1-3,38-39H2/b20-14+,21-15+.
What are the key properties of 2',7'-bis[4-[(E)-2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]?
2',7'-bis[4-[(E)-2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene] has a molecular weight of 843.13 g/mol, XLogP of 16.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-bis[4-[(E)-2-(10b,10c-dihydropyren-1-yl)ethenyl]phenyl]spiro[cyclohexane-1,9'-fluorene] is sourced from PubChem (CID 58645127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).