2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]

C39H26 — CID 102477561

IUPAC2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C39H26/c1-3-13-28(14-4-1)34(29-15-5-2-6-16-29)25-27-23-24-33-32-19-9-12-22-37(32)39(38(33)26-27)35-20-10-7-17-30(35)31-18-8-11-21-36(31)39/h1-26H
InChIKeyCSQIURSGGRUIIX-UHFFFAOYSA-N
MW494.64 g/mol
LogP9.62
Rot. Bonds3

About 2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]

2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene] (PubChem CID 102477561) has the molecular formula C39H26 and a molecular weight of 494.64 g/mol. Its IUPAC name is 2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]
PubChem CID102477561
Molecular FormulaC39H26
Molecular Weight494.64 g/mol
Exact Mass494.20
IUPAC Name2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C39H26/c1-3-13-28(14-4-1)34(29-15-5-2-6-16-29)25-27-23-24-33-32-19-9-12-22-37(32)39(38(33)26-27)35-20-10-7-17-30(35)31-18-8-11-21-36(31)39/h1-26H
InChIKeyCSQIURSGGRUIIX-UHFFFAOYSA-N
XLogP9.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene
CID 22932221
dichloromethane;7'-(2,2-diphenylethenyl)-N,N-diphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-2'-amine
CID 139194399
4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene
CID 20758340
7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine
CID 101484865
2-ethenyl-9,9-diphenylfluorene
CID 144583514
2',7'-bis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9,10-dinaphthalen-2-ylanthracene;1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;triphenyl-(3-triphenylsilylphenyl)silane;triphenyl-(4-triphenylsilylphenyl)silane
CID 159902965
N-(4-tert-butylphenyl)-7-[(E)-2-(4-tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]-N-[4-(trifluoromethyl)phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-amine
CID 162601185
2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene
CID 18335705
2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene]
CID 153369638
CID 158869194
CID 158869194
2-[4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]-9,9'-spirobi[fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[cyclohexane-1,9'-fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[cyclopentane-1,9'-fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]
CID 158291973
2-(2,2-diphenylethenyl)anthracene
CID 155667641

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]?
The IUPAC name of 2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene] (CID 102477561) is 2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene] is C(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of 2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]?
The InChIKey is CSQIURSGGRUIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26/c1-3-13-28(14-4-1)34(29-15-5-2-6-16-29)25-27-23-24-33-32-19-9-12-22-37(32)39(38(33)26-27)35-20-10-7-17-30(35)31-18-8-11-21-36(31)39/h1-26H.
What are the key properties of 2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]?
2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene] has a molecular weight of 494.64 g/mol, XLogP of 9.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 102477561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).