9-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-phenylfluorene

C27H22 — CID 144556488

IUPAC9-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-phenylfluorene
SMILESCC1C2C=CC(C3(c4ccccc4)c4ccccc4-c4ccccc43)=CC12
InChIInChI=1S/C27H22/c1-18-21-16-15-20(17-24(18)21)27(19-9-3-2-4-10-19)25-13-7-5-11-22(25)23-12-6-8-14-26(23)27/h2-18,21,24H,1H3
InChIKeyJOPOYILZZWGXAL-UHFFFAOYSA-N
MW346.47 g/mol
LogP6.38
Rot. Bonds2

About 9-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-phenylfluorene

9-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-phenylfluorene (PubChem CID 144556488) has the molecular formula C27H22 and a molecular weight of 346.47 g/mol. Its IUPAC name is 9-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-phenylfluorene.

Molecular Properties

Compound Name9-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-phenylfluorene
PubChem CID144556488
Molecular FormulaC27H22
Molecular Weight346.47 g/mol
Exact Mass346.17
IUPAC Name9-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-phenylfluorene
SMILESCC1C2C=CC(C3(c4ccccc4)c4ccccc4-c4ccccc43)=CC12
InChIInChI=1S/C27H22/c1-18-21-16-15-20(17-24(18)21)27(19-9-3-2-4-10-19)25-13-7-5-11-22(25)23-12-6-8-14-26(23)27/h2-18,21,24H,1H3
InChIKeyJOPOYILZZWGXAL-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-3-phenyl-2-benzofuran-1-one
CID 144556482
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
3-(9-phenylfluoren-9-yl)-1λ3-iodacyclohexa-2,4,6-triene
CID 163739568
15-methyl-10,10-diphenylhexacyclo[11.9.0.03,11.04,9.014,16.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene
CID 142380416
4-(9-phenylfluoren-9-yl)pyridine
CID 130393979
9-(2-fluorophenyl)-9-phenylfluorene
CID 102442885
4-(9-phenylfluoren-9-yl)benzenethiol
CID 58769505
9,9-bis(4-methylsulfanylphenyl)fluorene
CID 59263565

Frequently Asked Questions

What is the IUPAC name of 9-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-phenylfluorene?
The IUPAC name of 9-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-phenylfluorene (CID 144556488) is 9-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-phenylfluorene.
What is the SMILES notation for 9-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-phenylfluorene?
The canonical SMILES for 9-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-phenylfluorene is CC1C2C=CC(C3(c4ccccc4)c4ccccc4-c4ccccc43)=CC12.
What is the InChIKey of 9-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-phenylfluorene?
The InChIKey is JOPOYILZZWGXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22/c1-18-21-16-15-20(17-24(18)21)27(19-9-3-2-4-10-19)25-13-7-5-11-22(25)23-12-6-8-14-26(23)27/h2-18,21,24H,1H3.
What are the key properties of 9-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-phenylfluorene?
9-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-phenylfluorene has a molecular weight of 346.47 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-phenylfluorene is sourced from PubChem (CID 144556488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).