2,7-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene

C75H54 — CID 59217311

IUPAC2,7-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene
SMILESCC1(C)c2cc(-c3cc(C=C(c4ccccc4)c4ccccc4)cc(-c4cccc5ccccc45)c3)ccc2-c2ccc(-c3cc(C=C(c4ccccc4)c4ccccc4)cc(-c4cccc5ccccc45)c3)cc21
InChIInChI=1S/C75H54/c1-75(2)73-49-59(61-41-51(43-63(47-61)67-35-19-31-53-29-15-17-33-65(53)67)45-71(55-21-7-3-8-22-55)56-23-9-4-10-24-56)37-39-69(73)70-40-38-60(50-74(70)75)62-42-52(44-64(48-62)68-36-20-32-54-30-16-18-34-66(54)68)46-72(57-25-11-5-12-26-57)58-27-13-6-14-28-58/h3-50H,1-2H3
InChIKeyVMRVVUDTMFKVRY-UHFFFAOYSA-N
MW955.26 g/mol
LogP20.15
Rot. Bonds10

About 2,7-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene

2,7-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene (PubChem CID 59217311) has the molecular formula C75H54 and a molecular weight of 955.26 g/mol. Its IUPAC name is 2,7-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2,7-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene
PubChem CID59217311
Molecular FormulaC75H54
Molecular Weight955.26 g/mol
Exact Mass954.42
IUPAC Name2,7-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene
SMILESCC1(C)c2cc(-c3cc(C=C(c4ccccc4)c4ccccc4)cc(-c4cccc5ccccc45)c3)ccc2-c2ccc(-c3cc(C=C(c4ccccc4)c4ccccc4)cc(-c4cccc5ccccc45)c3)cc21
InChIInChI=1S/C75H54/c1-75(2)73-49-59(61-41-51(43-63(47-61)67-35-19-31-53-29-15-17-33-65(53)67)45-71(55-21-7-3-8-22-55)56-23-9-4-10-24-56)37-39-69(73)70-40-38-60(50-74(70)75)62-42-52(44-64(48-62)68-36-20-32-54-30-16-18-34-66(54)68)46-72(57-25-11-5-12-26-57)58-27-13-6-14-28-58/h3-50H,1-2H3
InChIKeyVMRVVUDTMFKVRY-UHFFFAOYSA-N
XLogP20.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.26
LogP ≤ 520.15
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',7'-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]spiro[cyclohexane-1,9'-fluorene]
CID 59217297
9,9-dimethyl-2,7-bis[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217086
9,9-dimethyl-2-naphthalen-2-yl-7-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217079
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene
CID 58569124
2-(1,2-dihydroacenaphthylen-5-yl)-9,9-dimethyl-7-naphthalen-2-ylfluorene;2-(5,6-dihydro-4H-phenalen-2-yl)-9,9-dimethyl-7-naphthalen-2-ylfluorene;9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]fluorene;9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-phenylfluorene;1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene;9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]fluorene;2-[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene
CID 159893531
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
CID 58569211
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813
2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine
CID 58880915

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene?
The IUPAC name of 2,7-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene (CID 59217311) is 2,7-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene.
What is the SMILES notation for 2,7-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene?
The canonical SMILES for 2,7-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene is CC1(C)c2cc(-c3cc(C=C(c4ccccc4)c4ccccc4)cc(-c4cccc5ccccc45)c3)ccc2-c2ccc(-c3cc(C=C(c4ccccc4)c4ccccc4)cc(-c4cccc5ccccc45)c3)cc21.
What is the InChIKey of 2,7-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene?
The InChIKey is VMRVVUDTMFKVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H54/c1-75(2)73-49-59(61-41-51(43-63(47-61)67-35-19-31-53-29-15-17-33-65(53)67)45-71(55-21-7-3-8-22-55)56-23-9-4-10-24-56)37-39-69(73)70-40-38-60(50-74(70)75)62-42-52(44-64(48-62)68-36-20-32-54-30-16-18-34-66(54)68)46-72(57-25-11-5-12-26-57)58-27-13-6-14-28-58/h3-50H,1-2H3.
What are the key properties of 2,7-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene?
2,7-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene has a molecular weight of 955.26 g/mol, XLogP of 20.15, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene is sourced from PubChem (CID 59217311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).