2'-[(2'E)-2'-ethylidene-3'-(6-methylidenecyclohexa-2,4-dien-1-ylidene)spiro[fluorene-9,1'-indene]-3-yl]spiro[fluorene-9,9'-xanthene]

C55H36O — CID 174088764

IUPAC2'-[(2'E)-2'-ethylidene-3'-(6-methylidenecyclohexa-2,4-dien-1-ylidene)spiro[fluorene-9,1'-indene]-3-yl]spiro[fluorene-9,9'-xanthene]
SMILESC=c1ccccc1=C1/C(=C\C)C2(c3ccccc31)c1ccccc1-c1cc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)ccc12
InChIInChI=1S/C55H36O/c1-3-43-53(37-17-5-4-16-34(37)2)41-21-9-13-25-47(41)54(43)46-24-12-8-20-40(46)42-32-35(28-30-48(42)54)36-29-31-52-50(33-36)55(49-26-14-15-27-51(49)56-52)44-22-10-6-18-38(44)39-19-7-11-23-45(39)55/h3-33H,2H2,1H3/b43-3+,53-37?
InChIKeyPPRDRVZMUQASON-DTNJLXFHSA-N
MW712.89 g/mol
LogP11.71
Rot. Bonds1

About 2'-[(2'E)-2'-ethylidene-3'-(6-methylidenecyclohexa-2,4-dien-1-ylidene)spiro[fluorene-9,1'-indene]-3-yl]spiro[fluorene-9,9'-xanthene]

2'-[(2'E)-2'-ethylidene-3'-(6-methylidenecyclohexa-2,4-dien-1-ylidene)spiro[fluorene-9,1'-indene]-3-yl]spiro[fluorene-9,9'-xanthene] (PubChem CID 174088764) has the molecular formula C55H36O and a molecular weight of 712.89 g/mol. Its IUPAC name is 2'-[(2'E)-2'-ethylidene-3'-(6-methylidenecyclohexa-2,4-dien-1-ylidene)spiro[fluorene-9,1'-indene]-3-yl]spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2'-[(2'E)-2'-ethylidene-3'-(6-methylidenecyclohexa-2,4-dien-1-ylidene)spiro[fluorene-9,1'-indene]-3-yl]spiro[fluorene-9,9'-xanthene]
PubChem CID174088764
Molecular FormulaC55H36O
Molecular Weight712.89 g/mol
Exact Mass712.28
IUPAC Name2'-[(2'E)-2'-ethylidene-3'-(6-methylidenecyclohexa-2,4-dien-1-ylidene)spiro[fluorene-9,1'-indene]-3-yl]spiro[fluorene-9,9'-xanthene]
SMILESC=c1ccccc1=C1/C(=C\C)C2(c3ccccc31)c1ccccc1-c1cc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)ccc12
InChIInChI=1S/C55H36O/c1-3-43-53(37-17-5-4-16-34(37)2)41-21-9-13-25-47(41)54(43)46-24-12-8-20-40(46)42-32-35(28-30-48(42)54)36-29-31-52-50(33-36)55(49-26-14-15-27-51(49)56-52)44-22-10-6-18-38(44)39-19-7-11-23-45(39)55/h3-33H,2H2,1H3/b43-3+,53-37?
InChIKeyPPRDRVZMUQASON-DTNJLXFHSA-N
XLogP11.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.89
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2'-[(2'E)-2'-ethylidene-3'-(6-methylidenecyclohexa-2,4-dien-1-ylidene)spiro[fluorene-9,1'-indene]-3-yl]spiro[fluorene-9,9'-xanthene] with MolForge

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Related Compounds

3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170243199
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene
CID 170020209
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
4-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476305
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol
CID 23369045
10,18-bis(9,9'-spirobi[fluorene]-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 122629683
2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 137388508
2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
CID 59096369
4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 137388315
2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 177127552

Frequently Asked Questions

What is the IUPAC name of 2'-[(2'E)-2'-ethylidene-3'-(6-methylidenecyclohexa-2,4-dien-1-ylidene)spiro[fluorene-9,1'-indene]-3-yl]spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2'-[(2'E)-2'-ethylidene-3'-(6-methylidenecyclohexa-2,4-dien-1-ylidene)spiro[fluorene-9,1'-indene]-3-yl]spiro[fluorene-9,9'-xanthene] (CID 174088764) is 2'-[(2'E)-2'-ethylidene-3'-(6-methylidenecyclohexa-2,4-dien-1-ylidene)spiro[fluorene-9,1'-indene]-3-yl]spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2'-[(2'E)-2'-ethylidene-3'-(6-methylidenecyclohexa-2,4-dien-1-ylidene)spiro[fluorene-9,1'-indene]-3-yl]spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2'-[(2'E)-2'-ethylidene-3'-(6-methylidenecyclohexa-2,4-dien-1-ylidene)spiro[fluorene-9,1'-indene]-3-yl]spiro[fluorene-9,9'-xanthene] is C=c1ccccc1=C1/C(=C\C)C2(c3ccccc31)c1ccccc1-c1cc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)ccc12.
What is the InChIKey of 2'-[(2'E)-2'-ethylidene-3'-(6-methylidenecyclohexa-2,4-dien-1-ylidene)spiro[fluorene-9,1'-indene]-3-yl]spiro[fluorene-9,9'-xanthene]?
The InChIKey is PPRDRVZMUQASON-DTNJLXFHSA-N. The full InChI is InChI=1S/C55H36O/c1-3-43-53(37-17-5-4-16-34(37)2)41-21-9-13-25-47(41)54(43)46-24-12-8-20-40(46)42-32-35(28-30-48(42)54)36-29-31-52-50(33-36)55(49-26-14-15-27-51(49)56-52)44-22-10-6-18-38(44)39-19-7-11-23-45(39)55/h3-33H,2H2,1H3/b43-3+,53-37?.
What are the key properties of 2'-[(2'E)-2'-ethylidene-3'-(6-methylidenecyclohexa-2,4-dien-1-ylidene)spiro[fluorene-9,1'-indene]-3-yl]spiro[fluorene-9,9'-xanthene]?
2'-[(2'E)-2'-ethylidene-3'-(6-methylidenecyclohexa-2,4-dien-1-ylidene)spiro[fluorene-9,1'-indene]-3-yl]spiro[fluorene-9,9'-xanthene] has a molecular weight of 712.89 g/mol, XLogP of 11.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[(2'E)-2'-ethylidene-3'-(6-methylidenecyclohexa-2,4-dien-1-ylidene)spiro[fluorene-9,1'-indene]-3-yl]spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 174088764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).