3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene

C31H30 — CID 144614661

IUPAC3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene
SMILESC=Cc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(C)c(C=C)c(C=C)c2-3)cc1/C=C\C
InChIInChI=1S/C31H30/c1-8-12-22-18-23(14-13-21(22)9-2)24-15-16-27-28(19-24)31(6,7)29-17-20(5)25(10-3)26(11-4)30(27)29/h8-19H,2-4H2,1,5-7H3/b12-8-
InChIKeyHNNMFVOSFFGBQI-WQLSENKSSA-N
MW402.58 g/mol
LogP8.93
Rot. Bonds5

About 3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene

3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene (PubChem CID 144614661) has the molecular formula C31H30 and a molecular weight of 402.58 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene.

Molecular Properties

Compound Name3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene
PubChem CID144614661
Molecular FormulaC31H30
Molecular Weight402.58 g/mol
Exact Mass402.23
IUPAC Name3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene
SMILESC=Cc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(C)c(C=C)c(C=C)c2-3)cc1/C=C\C
InChIInChI=1S/C31H30/c1-8-12-22-18-23(14-13-21(22)9-2)24-15-16-27-28(19-24)31(6,7)29-17-20(5)25(10-3)26(11-4)30(27)29/h8-19H,2-4H2,1,5-7H3/b12-8-
InChIKeyHNNMFVOSFFGBQI-WQLSENKSSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,4-bis(ethenyl)-2,7,9,9-tetramethylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-2-[(Z)-3-methylpent-2-en-2-yl]benzene;toluene
CID 144613065
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-ethenylnaphthalen-1-amine
CID 156757141
ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane
CID 143188972
10,10-dimethyl-7-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-14,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;ethane
CID 145441868
2,4-diphenyl-6-(5,7,7-trimethylbenzo[g]fluoren-9-yl)-1,3,5-triazine
CID 169290945
2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613484
10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene
CID 145000887
2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene
CID 58986915
3,4-bis(ethenyl)-2,7,9,9-tetramethylfluorene;1-tert-butyl-4-methylbenzene;(3E,5E,7Z)-5,7-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene;ethane;2-fluoro-1-methyl-3-phenylbenzene;(3Z)-3-methylhexa-1,3,5-triene
CID 144613867
2,10-diphenyl-9-(3,9,9-trimethyl-4-prop-1-enylfluoren-2-yl)anthracene
CID 91536828
N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 144907086
3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene
CID 123260032

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene?
The IUPAC name of 3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene (CID 144614661) is 3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene.
What is the SMILES notation for 3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene?
The canonical SMILES for 3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene is C=Cc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(C)c(C=C)c(C=C)c2-3)cc1/C=C\C.
What is the InChIKey of 3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene?
The InChIKey is HNNMFVOSFFGBQI-WQLSENKSSA-N. The full InChI is InChI=1S/C31H30/c1-8-12-22-18-23(14-13-21(22)9-2)24-15-16-27-28(19-24)31(6,7)29-17-20(5)25(10-3)26(11-4)30(27)29/h8-19H,2-4H2,1,5-7H3/b12-8-.
What are the key properties of 3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene?
3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene has a molecular weight of 402.58 g/mol, XLogP of 8.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-7-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2,9,9-trimethylfluorene is sourced from PubChem (CID 144614661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).