9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene

C43H34 — CID 59217271

IUPAC9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene
SMILESCC1(C)c2cc(-c3ccc(/C=C/c4ccccc4)cc3)ccc2-c2ccc(-c3ccc(/C=C/c4ccccc4)cc3)cc21
InChIInChI=1S/C43H34/c1-43(2)41-29-37(35-21-17-33(18-22-35)15-13-31-9-5-3-6-10-31)25-27-39(41)40-28-26-38(30-42(40)43)36-23-19-34(20-24-36)16-14-32-11-7-4-8-12-32/h3-30H,1-2H3/b15-13+,16-14+
InChIKeyYJCGPHAJWIAQDF-WXUKJITCSA-N
MW550.75 g/mol
LogP11.67
Rot. Bonds6

About 9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene

9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene (PubChem CID 59217271) has the molecular formula C43H34 and a molecular weight of 550.75 g/mol. Its IUPAC name is 9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene.

Molecular Properties

Compound Name9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene
PubChem CID59217271
Molecular FormulaC43H34
Molecular Weight550.75 g/mol
Exact Mass550.27
IUPAC Name9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene
SMILESCC1(C)c2cc(-c3ccc(/C=C/c4ccccc4)cc3)ccc2-c2ccc(-c3ccc(/C=C/c4ccccc4)cc3)cc21
InChIInChI=1S/C43H34/c1-43(2)41-29-37(35-21-17-33(18-22-35)15-13-31-9-5-3-6-10-31)25-27-39(41)40-28-26-38(30-42(40)43)36-23-19-34(20-24-36)16-14-32-11-7-4-8-12-32/h3-30H,1-2H3/b15-13+,16-14+
InChIKeyYJCGPHAJWIAQDF-WXUKJITCSA-N
XLogP11.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.75
LogP ≤ 511.67
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

9,9-dimethyl-2-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217045
9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217060
9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene
CID 72533469
9,9-dimethyl-2-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]-7-N-[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(2-phenylethenyl)anilino]phenyl]phenyl]-4-N-[4-(2-phenylethenyl)phenyl]benzene-1,4-diamine;1-N,4-N-diphenyl-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 159986160
(4-methylphenyl)-diphenyl-[4-[4-[2-[4-[4-[2-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]phenyl]silane
CID 59061597
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
9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene
CID 123439671
3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole
CID 59236662
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
9-phenyl-3-[(E)-2-[4-[6,6,12,12-tetramethyl-2-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]indeno[1,2-b]fluoren-8-yl]phenyl]ethenyl]carbazole
CID 59236371
9,9-dimethyl-2,7-bis[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217086

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene?
The IUPAC name of 9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene (CID 59217271) is 9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene.
What is the SMILES notation for 9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene?
The canonical SMILES for 9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene is CC1(C)c2cc(-c3ccc(/C=C/c4ccccc4)cc3)ccc2-c2ccc(-c3ccc(/C=C/c4ccccc4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene?
The InChIKey is YJCGPHAJWIAQDF-WXUKJITCSA-N. The full InChI is InChI=1S/C43H34/c1-43(2)41-29-37(35-21-17-33(18-22-35)15-13-31-9-5-3-6-10-31)25-27-39(41)40-28-26-38(30-42(40)43)36-23-19-34(20-24-36)16-14-32-11-7-4-8-12-32/h3-30H,1-2H3/b15-13+,16-14+.
What are the key properties of 9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene?
9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene has a molecular weight of 550.75 g/mol, XLogP of 11.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene is sourced from PubChem (CID 59217271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).