9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene

C127H148O2 — CID 157486659

IUPAC9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene
SMILESC=CCCCOCCC1(CCOCCCC=C)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCC1(CCCCCc2ccc3c(c2)CC3)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCC1(c2ccc3c(c2)CC3)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCC1(c2cccc(-c3ccc4c(c3)CC4)c2)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C35H36.C34H42.C29H38O2.C29H32/c1-4-5-6-7-19-35(30-10-8-9-27(23-30)29-16-14-26-13-15-28(26)22-29)33-20-24(2)11-17-31(33)32-18-12-25(3)21-34(32)35;1-4-5-6-9-20-34(21-10-7-8-11-27-14-15-28-16-17-29(28)24-27)32-22-25(2)12-18-30(32)31-19-13-26(3)23-33(31)34;1-5-7-9-17-30-19-15-29(16-20-31-18-10-8-6-2)27-21-23(3)11-13-25(27)26-14-12-24(4)22-28(26)29;1-4-5-6-7-16-29(24-13-12-22-10-11-23(22)19-24)27-17-20(2)8-14-25(27)26-15-9-21(3)18-28(26)29/h8-12,14,16-18,20-23H,4-7,13,15,19H2,1-3H3;12-15,18-19,22-24H,4-11,16-17,20-21H2,1-3H3;5-6,11-14,21-22H,1-2,7-10,15-20H2,3-4H3;8-9,12-15,17-19H,4-7,10-11,16H2,1-3H3
InChIKeyBWUGIYPTVDMOHJ-UHFFFAOYSA-N
MW1706.58 g/mol
LogP33.80
Rot. Bonds38

About 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene

9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene (PubChem CID 157486659) has the molecular formula C127H148O2 and a molecular weight of 1706.58 g/mol. Its IUPAC name is 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene.

Molecular Properties

Compound Name9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene
PubChem CID157486659
Molecular FormulaC127H148O2
Molecular Weight1706.58 g/mol
Exact Mass1705.15
IUPAC Name9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene
SMILESC=CCCCOCCC1(CCOCCCC=C)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCC1(CCCCCc2ccc3c(c2)CC3)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCC1(c2ccc3c(c2)CC3)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCC1(c2cccc(-c3ccc4c(c3)CC4)c2)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C35H36.C34H42.C29H38O2.C29H32/c1-4-5-6-7-19-35(30-10-8-9-27(23-30)29-16-14-26-13-15-28(26)22-29)33-20-24(2)11-17-31(33)32-18-12-25(3)21-34(32)35;1-4-5-6-9-20-34(21-10-7-8-11-27-14-15-28-16-17-29(28)24-27)32-22-25(2)12-18-30(32)31-19-13-26(3)23-33(31)34;1-5-7-9-17-30-19-15-29(16-20-31-18-10-8-6-2)27-21-23(3)11-13-25(27)26-14-12-24(4)22-28(26)29;1-4-5-6-7-16-29(24-13-12-22-10-11-23(22)19-24)27-17-20(2)8-14-25(27)26-15-9-21(3)18-28(26)29/h8-12,14,16-18,20-23H,4-7,13,15,19H2,1-3H3;12-15,18-19,22-24H,4-11,16-17,20-21H2,1-3H3;5-6,11-14,21-22H,1-2,7-10,15-20H2,3-4H3;8-9,12-15,17-19H,4-7,10-11,16H2,1-3H3
InChIKeyBWUGIYPTVDMOHJ-UHFFFAOYSA-N
XLogP33.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds38
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001706.58
LogP ≤ 533.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene with MolForge

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Related Compounds

9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-2,7-dimethylfluorene
CID 123883397
3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-methylaniline
CID 58250969
2-[9,9-bis(4-hexylphenyl)-7-methylfluoren-2-yl]-9,9-bis(3-hexylphenyl)-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene
CID 140591814
9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene
CID 158736272
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-6,6,12,12-tetrahexyl-8-methyl-N-phenylindeno[1,2-b]fluoren-2-amine
CID 71009487
2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-methylfluoren-2-yl]phenyl]-7-N-[4-[7-[9,9-bis(3-hexylphenyl)-7-methylfluoren-2-yl]-9-hexa-1,3,5-triynyl-9-methylfluoren-2-yl]phenyl]-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 173464840
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 159912719
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(7-ethenyl-9,9-dioctylfluoren-2-yl)-7-phenylfluorene
CID 140775699
1-butyl-3-ethenylbenzene;1-ethenyl-3-hexylbenzene;1-ethenyl-3-methylbenzene;3-hexylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 159227161
9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene
CID 59687234
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
N-[4-[7-[9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[4-[4-(4-hexylphenyl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(3-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline
CID 58281924

Frequently Asked Questions

What is the IUPAC name of 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene?
The IUPAC name of 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene (CID 157486659) is 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene.
What is the SMILES notation for 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene?
The canonical SMILES for 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene is C=CCCCOCCC1(CCOCCCC=C)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCC1(CCCCCc2ccc3c(c2)CC3)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCC1(c2ccc3c(c2)CC3)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCC1(c2cccc(-c3ccc4c(c3)CC4)c2)c2cc(C)ccc2-c2ccc(C)cc21.
What is the InChIKey of 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene?
The InChIKey is BWUGIYPTVDMOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36.C34H42.C29H38O2.C29H32/c1-4-5-6-7-19-35(30-10-8-9-27(23-30)29-16-14-26-13-15-28(26)22-29)33-20-24(2)11-17-31(33)32-18-12-25(3)21-34(32)35;1-4-5-6-9-20-34(21-10-7-8-11-27-14-15-28-16-17-29(28)24-27)32-22-25(2)12-18-30(32)31-19-13-26(3)23-33(31)34;1-5-7-9-17-30-19-15-29(16-20-31-18-10-8-6-2)27-21-23(3)11-13-25(27)26-14-12-24(4)22-28(26)29;1-4-5-6-7-16-29(24-13-12-22-10-11-23(22)19-24)27-17-20(2)8-14-25(27)26-15-9-21(3)18-28(26)29/h8-12,14,16-18,20-23H,4-7,13,15,19H2,1-3H3;12-15,18-19,22-24H,4-11,16-17,20-21H2,1-3H3;5-6,11-14,21-22H,1-2,7-10,15-20H2,3-4H3;8-9,12-15,17-19H,4-7,10-11,16H2,1-3H3.
What are the key properties of 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene?
9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene has a molecular weight of 1706.58 g/mol, XLogP of 33.80, 38 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-hexyl-2,7-dimethylfluorene;9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-hexyl-2,7-dimethylfluorene;9-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9-hexyl-2,7-dimethylfluorene;2,7-dimethyl-9,9-bis(2-pent-4-enoxyethyl)fluorene is sourced from PubChem (CID 157486659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).