9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene

C53H40 — CID 142555556

IUPAC9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5cccc(C(=C(c6ccccc6)c6ccccc6)c6ccccc6)c5)c4)c3)cc21
InChIInChI=1S/C53H40/c1-53(2)49-30-13-12-29-47(49)48-32-31-45(36-50(48)53)43-26-15-24-41(34-43)40-23-14-25-42(33-40)44-27-16-28-46(35-44)52(39-21-10-5-11-22-39)51(37-17-6-3-7-18-37)38-19-8-4-9-20-38/h3-36H,1-2H3
InChIKeyOWVPVEPMPQPMGC-UHFFFAOYSA-N
MW676.90 g/mol
LogP14.00
Rot. Bonds7

About 9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene

9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene (PubChem CID 142555556) has the molecular formula C53H40 and a molecular weight of 676.90 g/mol. Its IUPAC name is 9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene.

Molecular Properties

Compound Name9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene
PubChem CID142555556
Molecular FormulaC53H40
Molecular Weight676.90 g/mol
Exact Mass676.31
IUPAC Name9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5cccc(C(=C(c6ccccc6)c6ccccc6)c6ccccc6)c5)c4)c3)cc21
InChIInChI=1S/C53H40/c1-53(2)49-30-13-12-29-47(49)48-32-31-45(36-50(48)53)43-26-15-24-41(34-43)40-23-14-25-42(33-40)44-27-16-28-46(35-44)52(39-21-10-5-11-22-39)51(37-17-6-3-7-18-37)38-19-8-4-9-20-38/h3-36H,1-2H3
InChIKeyOWVPVEPMPQPMGC-UHFFFAOYSA-N
XLogP14.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.90
LogP ≤ 514.00
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

2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777
9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
CID 153369031
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
CID 140720702
CID 140720702
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154613773

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene?
The IUPAC name of 9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene (CID 142555556) is 9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene.
What is the SMILES notation for 9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene?
The canonical SMILES for 9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5cccc(C(=C(c6ccccc6)c6ccccc6)c6ccccc6)c5)c4)c3)cc21.
What is the InChIKey of 9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene?
The InChIKey is OWVPVEPMPQPMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40/c1-53(2)49-30-13-12-29-47(49)48-32-31-45(36-50(48)53)43-26-15-24-41(34-43)40-23-14-25-42(33-40)44-27-16-28-46(35-44)52(39-21-10-5-11-22-39)51(37-17-6-3-7-18-37)38-19-8-4-9-20-38/h3-36H,1-2H3.
What are the key properties of 9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene?
9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene has a molecular weight of 676.90 g/mol, XLogP of 14.00, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-[3-[3-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]fluorene is sourced from PubChem (CID 142555556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).