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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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).