(3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene]

C33H28 — CID 144810497

IUPAC(3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene]
SMILESC=C/C=C\C=C/C.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C26H18.C7H10/c1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-3-5-7-6-4-2/h2-16H,1H3;3-7H,1H2,2H3/b;6-4-,7-5-
InChIKeyMUFUTJLDAUDDHJ-WRFMUYTLSA-N
MW424.59 g/mol
LogP8.64
Rot. Bonds2

About (3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene]

(3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene] (PubChem CID 144810497) has the molecular formula C33H28 and a molecular weight of 424.59 g/mol. Its IUPAC name is (3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name(3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene]
PubChem CID144810497
Molecular FormulaC33H28
Molecular Weight424.59 g/mol
Exact Mass424.22
IUPAC Name(3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene]
SMILESC=C/C=C\C=C/C.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C26H18.C7H10/c1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-3-5-7-6-4-2/h2-16H,1H3;3-7H,1H2,2H3/b;6-4-,7-5-
InChIKeyMUFUTJLDAUDDHJ-WRFMUYTLSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
CID 58607554
CID 58607554
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
2',3'-bis(ethenyl)-2-methylspiro[fluorene-9,1'-indene];ethane;methane
CID 163299187
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255
2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene]
CID 59167173
9',17'-dimethylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 160896143
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene]?
The IUPAC name of (3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene] (CID 144810497) is (3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene].
What is the SMILES notation for (3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene]?
The canonical SMILES for (3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene] is C=C/C=C\C=C/C.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of (3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene]?
The InChIKey is MUFUTJLDAUDDHJ-WRFMUYTLSA-N. The full InChI is InChI=1S/C26H18.C7H10/c1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-3-5-7-6-4-2/h2-16H,1H3;3-7H,1H2,2H3/b;6-4-,7-5-.
What are the key properties of (3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene]?
(3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene] has a molecular weight of 424.59 g/mol, XLogP of 8.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 144810497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).