9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene

C95H98 — CID 101061836

IUPAC9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene
SMILESCCCCC(CC)CC1c2ccccc2-c2ccc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c(c5)C(CC(CC)CCCC)c5cc(/C=C/c7ccc(-c8ccc(/C=C/c9ccc%10c(c9)C(CC(CC)CCCC)c9ccccc9-%10)cc8)cc7)ccc5-6)cc4)cc3)cc21
InChIInChI=1S/C95H98/c1-7-13-20-66(10-4)59-89-83-25-18-16-23-81(83)85-55-43-73(62-91(85)89)31-27-69-35-47-77(48-36-69)79-51-39-71(40-52-79)29-33-75-45-57-87-88-58-46-76(65-94(88)95(93(87)64-75)61-68(12-6)22-15-9-3)34-30-72-41-53-80(54-42-72)78-49-37-70(38-50-78)28-32-74-44-56-86-82-24-17-19-26-84(82)90(92(86)63-74)60-67(11-5)21-14-8-2/h16-19,23-58,62-68,89-90,95H,7-15,20-22,59-61H2,1-6H3/b31-27+,32-28+,33-29+,34-30+
InChIKeyYCPDORXFMSLOMV-BUPOPLJZSA-N
MW1239.83 g/mol
LogP27.86
Rot. Bonds28

About 9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene

9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene (PubChem CID 101061836) has the molecular formula C95H98 and a molecular weight of 1239.83 g/mol. Its IUPAC name is 9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene.

Molecular Properties

Compound Name9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene
PubChem CID101061836
Molecular FormulaC95H98
Molecular Weight1239.83 g/mol
Exact Mass1238.77
IUPAC Name9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene
SMILESCCCCC(CC)CC1c2ccccc2-c2ccc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c(c5)C(CC(CC)CCCC)c5cc(/C=C/c7ccc(-c8ccc(/C=C/c9ccc%10c(c9)C(CC(CC)CCCC)c9ccccc9-%10)cc8)cc7)ccc5-6)cc4)cc3)cc21
InChIInChI=1S/C95H98/c1-7-13-20-66(10-4)59-89-83-25-18-16-23-81(83)85-55-43-73(62-91(85)89)31-27-69-35-47-77(48-36-69)79-51-39-71(40-52-79)29-33-75-45-57-87-88-58-46-76(65-94(88)95(93(87)64-75)61-68(12-6)22-15-9-3)34-30-72-41-53-80(54-42-72)78-49-37-70(38-50-78)28-32-74-44-56-86-82-24-17-19-26-84(82)90(92(86)63-74)60-67(11-5)21-14-8-2/h16-19,23-58,62-68,89-90,95H,7-15,20-22,59-61H2,1-6H3/b31-27+,32-28+,33-29+,34-30+
InChIKeyYCPDORXFMSLOMV-BUPOPLJZSA-N
XLogP27.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001239.83
LogP ≤ 527.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene with MolForge

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

Launch Full Analysis

Related Compounds

9-(2-ethylhexyl)-9H-fluorene-3,6-dicarbaldehyde
CID 101243551
2,4,6-tris[4-[(E)-2-[9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,5-triazine
CID 102358497
1,3-bis(2-ethylhexyl)-1H-indene
CID 582598
2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene
CID 101111092
2-(4-tert-butylphenyl)-5-[4-[(E)-2-[7-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9-bis(2-ethylhexyl)fluoren-2-yl]ethenyl]phenyl]-1,3,4-oxadiazole
CID 101168888
9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene
CID 19706049
9,9-bis(2-ethylhexyl)-2,7-bis[(E)-2-(4-methylsulfanylphenyl)ethenyl]fluorene
CID 58906047
2-[4-[(E)-2-[5-(2-ethylhexoxy)-2-methoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-9,9-dioctylfluorene
CID 162420614
2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55185776
1-[(E)-2-(4-bromophenyl)ethenyl]-5-[(2S)-2-ethylhexoxy]-2-[(2R)-2-ethylhexoxy]-4-[(E)-2-phenylethenyl]benzene
CID 135816764
9-(2-cyclopenta-2,4-dien-1-yldecyl)-9H-fluorene;zirconium(2+);dichloride
CID 157173192
1-(9H-fluoren-9-yl)pentyl formate
CID 57002475

Frequently Asked Questions

What is the IUPAC name of 9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene?
The IUPAC name of 9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene (CID 101061836) is 9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene.
What is the SMILES notation for 9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene?
The canonical SMILES for 9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene is CCCCC(CC)CC1c2ccccc2-c2ccc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c(c5)C(CC(CC)CCCC)c5cc(/C=C/c7ccc(-c8ccc(/C=C/c9ccc%10c(c9)C(CC(CC)CCCC)c9ccccc9-%10)cc8)cc7)ccc5-6)cc4)cc3)cc21.
What is the InChIKey of 9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene?
The InChIKey is YCPDORXFMSLOMV-BUPOPLJZSA-N. The full InChI is InChI=1S/C95H98/c1-7-13-20-66(10-4)59-89-83-25-18-16-23-81(83)85-55-43-73(62-91(85)89)31-27-69-35-47-77(48-36-69)79-51-39-71(40-52-79)29-33-75-45-57-87-88-58-46-76(65-94(88)95(93(87)64-75)61-68(12-6)22-15-9-3)34-30-72-41-53-80(54-42-72)78-49-37-70(38-50-78)28-32-74-44-56-86-82-24-17-19-26-84(82)90(92(86)63-74)60-67(11-5)21-14-8-2/h16-19,23-58,62-68,89-90,95H,7-15,20-22,59-61H2,1-6H3/b31-27+,32-28+,33-29+,34-30+.
What are the key properties of 9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene?
9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene has a molecular weight of 1239.83 g/mol, XLogP of 27.86, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethylhexyl)-2,7-bis[(E)-2-[4-[4-[(E)-2-[9-(2-ethylhexyl)-9H-fluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9H-fluorene is sourced from PubChem (CID 101061836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).