2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]

C65H46S — CID 58879555

IUPAC2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]
SMILESCc1cc2c(cc1C)C1(c3cc(-c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)ccc3-c3ccc(-c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)cc31)c1sccc1-2
InChIInChI=1S/C65H46S/c1-43-37-60-57-35-36-66-64(57)65(61(60)38-44(43)2)62-41-53(47-27-23-45(24-28-47)39-58(49-15-7-3-8-16-49)50-17-9-4-10-18-50)31-33-55(62)56-34-32-54(42-63(56)65)48-29-25-46(26-30-48)40-59(51-19-11-5-12-20-51)52-21-13-6-14-22-52/h3-42H,1-2H3
InChIKeyBRFJWHJJHXSUPE-UHFFFAOYSA-N
MW859.15 g/mol
LogP17.22
Rot. Bonds8

About 2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]

2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene] (PubChem CID 58879555) has the molecular formula C65H46S and a molecular weight of 859.15 g/mol. Its IUPAC name is 2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene].

Molecular Properties

Compound Name2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]
PubChem CID58879555
Molecular FormulaC65H46S
Molecular Weight859.15 g/mol
Exact Mass858.33
IUPAC Name2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]
SMILESCc1cc2c(cc1C)C1(c3cc(-c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)ccc3-c3ccc(-c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)cc31)c1sccc1-2
InChIInChI=1S/C65H46S/c1-43-37-60-57-35-36-66-64(57)65(61(60)38-44(43)2)62-41-53(47-27-23-45(24-28-47)39-58(49-15-7-3-8-16-49)50-17-9-4-10-18-50)31-33-55(62)56-34-32-54(42-63(56)65)48-29-25-46(26-30-48)40-59(51-19-11-5-12-20-51)52-21-13-6-14-22-52/h3-42H,1-2H3
InChIKeyBRFJWHJJHXSUPE-UHFFFAOYSA-N
XLogP17.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.15
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]?
The IUPAC name of 2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene] (CID 58879555) is 2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene].
What is the SMILES notation for 2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]?
The canonical SMILES for 2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene] is Cc1cc2c(cc1C)C1(c3cc(-c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)ccc3-c3ccc(-c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)cc31)c1sccc1-2.
What is the InChIKey of 2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]?
The InChIKey is BRFJWHJJHXSUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46S/c1-43-37-60-57-35-36-66-64(57)65(61(60)38-44(43)2)62-41-53(47-27-23-45(24-28-47)39-58(49-15-7-3-8-16-49)50-17-9-4-10-18-50)31-33-55(62)56-34-32-54(42-63(56)65)48-29-25-46(26-30-48)40-59(51-19-11-5-12-20-51)52-21-13-6-14-22-52/h3-42H,1-2H3.
What are the key properties of 2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]?
2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene] has a molecular weight of 859.15 g/mol, XLogP of 17.22, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene] is sourced from PubChem (CID 58879555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).