9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene

C24H22 — CID 157283821

IUPAC9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene
SMILESCc1ccc2c(c1)C(C)(c1ccc3c(c1)CC3)c1cc(C)ccc1-2
InChIInChI=1S/C24H22/c1-15-4-10-20-21-11-5-16(2)13-23(21)24(3,22(20)12-15)19-9-8-17-6-7-18(17)14-19/h4-5,8-14H,6-7H2,1-3H3
InChIKeyDPUXWRGMJPAKAT-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.74
Rot. Bonds1

About 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene

9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene (PubChem CID 157283821) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene.

Molecular Properties

Compound Name9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene
PubChem CID157283821
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene
SMILESCc1ccc2c(c1)C(C)(c1ccc3c(c1)CC3)c1cc(C)ccc1-2
InChIInChI=1S/C24H22/c1-15-4-10-20-21-11-5-16(2)13-23(21)24(3,22(20)12-15)19-9-8-17-6-7-18(17)14-19/h4-5,8-14H,6-7H2,1-3H3
InChIKeyDPUXWRGMJPAKAT-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene 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
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 70848334
2,7,9,9-tetramethylfluorene
CID 22951928
2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene
CID 129015680
2,7-dimethyl-9,10-dihydrophenanthrene
CID 23550290
2,3,6,7,9-pentamethyl-9-[4-(4-methylphenyl)phenyl]fluorene
CID 159906314
ethane;9-fluoro-2,7,9-trimethylfluorene
CID 142891538
2,10,10-trimethyl-9H-phenanthrene
CID 175802483
9-(4-tert-butylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 58371098
(1S,2R)-2',7'-dimethylspiro[cyclopentane-4,9'-fluorene]-1,2-diol
CID 155076011
2,7-dimethyl-9,10-dihydrophenanthrene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;5,14-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene;5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene;3,6,6,9,14,14-hexamethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;bis(3,10,15,15-tetramethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)
CID 160593140
9,9-difluoro-2,7-dimethylfluorene
CID 58776367

Frequently Asked Questions

What is the IUPAC name of 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene?
The IUPAC name of 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene (CID 157283821) is 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene.
What is the SMILES notation for 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene?
The canonical SMILES for 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene is Cc1ccc2c(c1)C(C)(c1ccc3c(c1)CC3)c1cc(C)ccc1-2.
What is the InChIKey of 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene?
The InChIKey is DPUXWRGMJPAKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22/c1-15-4-10-20-21-11-5-16(2)13-23(21)24(3,22(20)12-15)19-9-8-17-6-7-18(17)14-19/h4-5,8-14H,6-7H2,1-3H3.
What are the key properties of 9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene?
9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene has a molecular weight of 310.44 g/mol, XLogP of 5.74, 1 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)-2,7,9-trimethylfluorene is sourced from PubChem (CID 157283821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).