9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-nonylfluorene;ethane

C32H40 — CID 145357210

IUPAC9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-nonylfluorene;ethane
SMILESCC.CCCCCCCCCC1(c2ccc3c(c2)CC3)c2ccccc2-c2ccccc21
InChIInChI=1S/C30H34.C2H6/c1-2-3-4-5-6-7-12-21-30(25-20-19-23-17-18-24(23)22-25)28-15-10-8-13-26(28)27-14-9-11-16-29(27)30;1-2/h8-11,13-16,19-20,22H,2-7,12,17-18,21H2,1H3;1-2H3
InChIKeyYBQCGLWZKYMGER-UHFFFAOYSA-N
MW424.67 g/mol
LogP9.27
Rot. Bonds9

About 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-nonylfluorene;ethane

9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-nonylfluorene;ethane (PubChem CID 145357210) has the molecular formula C32H40 and a molecular weight of 424.67 g/mol. Its IUPAC name is 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-nonylfluorene;ethane.

Molecular Properties

Compound Name9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-nonylfluorene;ethane
PubChem CID145357210
Molecular FormulaC32H40
Molecular Weight424.67 g/mol
Exact Mass424.31
IUPAC Name9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-nonylfluorene;ethane
SMILESCC.CCCCCCCCCC1(c2ccc3c(c2)CC3)c2ccccc2-c2ccccc21
InChIInChI=1S/C30H34.C2H6/c1-2-3-4-5-6-7-12-21-30(25-20-19-23-17-18-24(23)22-25)28-15-10-8-13-26(28)27-14-9-11-16-29(27)30;1-2/h8-11,13-16,19-20,22H,2-7,12,17-18,21H2,1H3;1-2H3
InChIKeyYBQCGLWZKYMGER-UHFFFAOYSA-N
XLogP9.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
2-[2,5-bis[6-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)fluoren-9-yl]hexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;2-[2,5-bis(hex-5-enyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 159124269
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
7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene
CID 101489887
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
CID 163993358
CID 163993358
2-bromo-9,9-dihexylfluorene
CID 18674600
3-bromo-9,9-dioctylfluorene
CID 139567905
N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine
CID 58389511
2,7-dichloro-9-hexyl-9-phenylfluorene
CID 59711127
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308

Frequently Asked Questions

What is the IUPAC name of 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-nonylfluorene;ethane?
The IUPAC name of 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-nonylfluorene;ethane (CID 145357210) is 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-nonylfluorene;ethane.
What is the SMILES notation for 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-nonylfluorene;ethane?
The canonical SMILES for 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-nonylfluorene;ethane is CC.CCCCCCCCCC1(c2ccc3c(c2)CC3)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-nonylfluorene;ethane?
The InChIKey is YBQCGLWZKYMGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34.C2H6/c1-2-3-4-5-6-7-12-21-30(25-20-19-23-17-18-24(23)22-25)28-15-10-8-13-26(28)27-14-9-11-16-29(27)30;1-2/h8-11,13-16,19-20,22H,2-7,12,17-18,21H2,1H3;1-2H3.
What are the key properties of 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-nonylfluorene;ethane?
9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-nonylfluorene;ethane has a molecular weight of 424.67 g/mol, XLogP of 9.27, 9 rotatable bonds, 0 hydrogen bond donors, and 0 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-nonylfluorene;ethane is sourced from PubChem (CID 145357210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).