9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene

C65H44Cl2 — CID 22932221

IUPAC9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene
SMILESClc1ccc(-c2ccc(C3(c4ccc(-c5ccc(Cl)cc5)cc4)c4cc(C=C(c5ccccc5)c5ccccc5)ccc4-c4ccc(C=C(c5ccccc5)c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C65H44Cl2/c66-57-35-27-49(28-36-57)47-23-31-55(32-24-47)65(56-33-25-48(26-34-56)50-29-37-58(67)38-30-50)63-43-45(41-61(51-13-5-1-6-14-51)52-15-7-2-8-16-52)21-39-59(63)60-40-22-46(44-64(60)65)42-62(53-17-9-3-10-18-53)54-19-11-4-12-20-54/h1-44H
InChIKeyFQDVMMRMUOIDOV-UHFFFAOYSA-N
MW895.97 g/mol
LogP17.87
Rot. Bonds10

About 9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene

9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene (PubChem CID 22932221) has the molecular formula C65H44Cl2 and a molecular weight of 895.97 g/mol. Its IUPAC name is 9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene.

Molecular Properties

Compound Name9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene
PubChem CID22932221
Molecular FormulaC65H44Cl2
Molecular Weight895.97 g/mol
Exact Mass894.28
IUPAC Name9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene
SMILESClc1ccc(-c2ccc(C3(c4ccc(-c5ccc(Cl)cc5)cc4)c4cc(C=C(c5ccccc5)c5ccccc5)ccc4-c4ccc(C=C(c5ccccc5)c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C65H44Cl2/c66-57-35-27-49(28-36-57)47-23-31-55(32-24-47)65(56-33-25-48(26-34-56)50-29-37-58(67)38-30-50)63-43-45(41-61(51-13-5-1-6-14-51)52-15-7-2-8-16-52)21-39-59(63)60-40-22-46(44-64(60)65)42-62(53-17-9-3-10-18-53)54-19-11-4-12-20-54/h1-44H
InChIKeyFQDVMMRMUOIDOV-UHFFFAOYSA-N
XLogP17.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.97
LogP ≤ 517.87
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

2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]
CID 102477561
2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene
CID 18335705
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
2-ethenyl-9,9-diphenylfluorene
CID 144583514
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene
CID 20758340
2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]
CID 58879555
7-(2,2-diphenylethenyl)-N,N-diphenyl-9,9-dipyridin-2-ylfluoren-2-amine
CID 101484865
2-(4-chlorophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130264027
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
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
1-chloro-4-[2-(2,2-diphenylethenyl)cyclopropen-1-yl]benzene
CID 102155434

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene?
The IUPAC name of 9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene (CID 22932221) is 9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene.
What is the SMILES notation for 9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene?
The canonical SMILES for 9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene is Clc1ccc(-c2ccc(C3(c4ccc(-c5ccc(Cl)cc5)cc4)c4cc(C=C(c5ccccc5)c5ccccc5)ccc4-c4ccc(C=C(c5ccccc5)c5ccccc5)cc43)cc2)cc1.
What is the InChIKey of 9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene?
The InChIKey is FQDVMMRMUOIDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44Cl2/c66-57-35-27-49(28-36-57)47-23-31-55(32-24-47)65(56-33-25-48(26-34-56)50-29-37-58(67)38-30-50)63-43-45(41-61(51-13-5-1-6-14-51)52-15-7-2-8-16-52)21-39-59(63)60-40-22-46(44-64(60)65)42-62(53-17-9-3-10-18-53)54-19-11-4-12-20-54/h1-44H.
What are the key properties of 9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene?
9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene has a molecular weight of 895.97 g/mol, XLogP of 17.87, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene is sourced from PubChem (CID 22932221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).