4,4'-bis(2-phenylethenyl)-9,9'-spirobi[fluorene]

C41H28 — CID 123900439

IUPAC4,4'-bis(2-phenylethenyl)-9,9'-spirobi[fluorene]
SMILESC(=Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2c(C=Cc3ccccc3)cccc21)c1ccccc1
InChIInChI=1S/C41H28/c1-3-13-29(14-4-1)25-27-31-17-11-23-37-39(31)33-19-7-9-21-35(33)41(37)36-22-10-8-20-34(36)40-32(18-12-24-38(40)41)28-26-30-15-5-2-6-16-30/h1-28H
InChIKeyYBZWUBCSIHINOO-UHFFFAOYSA-N
MW520.68 g/mol
LogP10.37
Rot. Bonds4

About 4,4'-bis(2-phenylethenyl)-9,9'-spirobi[fluorene]

4,4'-bis(2-phenylethenyl)-9,9'-spirobi[fluorene] (PubChem CID 123900439) has the molecular formula C41H28 and a molecular weight of 520.68 g/mol. Its IUPAC name is 4,4'-bis(2-phenylethenyl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4,4'-bis(2-phenylethenyl)-9,9'-spirobi[fluorene]
PubChem CID123900439
Molecular FormulaC41H28
Molecular Weight520.68 g/mol
Exact Mass520.22
IUPAC Name4,4'-bis(2-phenylethenyl)-9,9'-spirobi[fluorene]
SMILESC(=Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2c(C=Cc3ccccc3)cccc21)c1ccccc1
InChIInChI=1S/C41H28/c1-3-13-29(14-4-1)25-27-31-17-11-23-37-39(31)33-19-7-9-21-35(33)41(37)36-22-10-8-20-34(36)40-32(18-12-24-38(40)41)28-26-30-15-5-2-6-16-30/h1-28H
InChIKeyYBZWUBCSIHINOO-UHFFFAOYSA-N
XLogP10.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 510.37
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

bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine
CID 91214127
2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine
CID 102597528
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 89074925
CID 102532137
CID 102532137
1-(dichloromethyl)-2-[(E)-2-phenylethenyl]benzene
CID 139836196
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine
CID 89075120
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine
CID 89075111
7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine
CID 91193814
9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 59217347
1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene
CID 11167038

Frequently Asked Questions

What is the IUPAC name of 4,4'-bis(2-phenylethenyl)-9,9'-spirobi[fluorene]?
The IUPAC name of 4,4'-bis(2-phenylethenyl)-9,9'-spirobi[fluorene] (CID 123900439) is 4,4'-bis(2-phenylethenyl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 4,4'-bis(2-phenylethenyl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 4,4'-bis(2-phenylethenyl)-9,9'-spirobi[fluorene] is C(=Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2c(C=Cc3ccccc3)cccc21)c1ccccc1.
What is the InChIKey of 4,4'-bis(2-phenylethenyl)-9,9'-spirobi[fluorene]?
The InChIKey is YBZWUBCSIHINOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28/c1-3-13-29(14-4-1)25-27-31-17-11-23-37-39(31)33-19-7-9-21-35(33)41(37)36-22-10-8-20-34(36)40-32(18-12-24-38(40)41)28-26-30-15-5-2-6-16-30/h1-28H.
What are the key properties of 4,4'-bis(2-phenylethenyl)-9,9'-spirobi[fluorene]?
4,4'-bis(2-phenylethenyl)-9,9'-spirobi[fluorene] has a molecular weight of 520.68 g/mol, XLogP of 10.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4'-bis(2-phenylethenyl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 123900439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).