1-[1-(9H-fluoren-1-yl)oct-7-en-2-yl]-9H-fluorene

C34H32 — CID 19692117

IUPAC1-[1-(9H-fluoren-1-yl)oct-7-en-2-yl]-9H-fluorene
SMILESC=CCCCCC(Cc1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C34H32/c1-2-3-4-5-12-24(30-18-11-20-32-29-17-9-7-14-27(29)23-34(30)32)21-25-15-10-19-31-28-16-8-6-13-26(28)22-33(25)31/h2,6-11,13-20,24H,1,3-5,12,21-23H2
InChIKeyMDHAMWRXFINMKW-UHFFFAOYSA-N
MW440.63 g/mol
LogP8.90
Rot. Bonds8

About 1-[1-(9H-fluoren-1-yl)oct-7-en-2-yl]-9H-fluorene

1-[1-(9H-fluoren-1-yl)oct-7-en-2-yl]-9H-fluorene (PubChem CID 19692117) has the molecular formula C34H32 and a molecular weight of 440.63 g/mol. Its IUPAC name is 1-[1-(9H-fluoren-1-yl)oct-7-en-2-yl]-9H-fluorene.

Molecular Properties

Compound Name1-[1-(9H-fluoren-1-yl)oct-7-en-2-yl]-9H-fluorene
PubChem CID19692117
Molecular FormulaC34H32
Molecular Weight440.63 g/mol
Exact Mass440.25
IUPAC Name1-[1-(9H-fluoren-1-yl)oct-7-en-2-yl]-9H-fluorene
SMILESC=CCCCCC(Cc1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C34H32/c1-2-3-4-5-12-24(30-18-11-20-32-29-17-9-7-14-27(29)23-34(30)32)21-25-15-10-19-31-28-16-8-6-13-26(28)22-33(25)31/h2,6-11,13-20,24H,1,3-5,12,21-23H2
InChIKeyMDHAMWRXFINMKW-UHFFFAOYSA-N
XLogP8.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(9H-fluoren-1-yl)oct-7-en-2-yl]-9H-fluorene?
The IUPAC name of 1-[1-(9H-fluoren-1-yl)oct-7-en-2-yl]-9H-fluorene (CID 19692117) is 1-[1-(9H-fluoren-1-yl)oct-7-en-2-yl]-9H-fluorene.
What is the SMILES notation for 1-[1-(9H-fluoren-1-yl)oct-7-en-2-yl]-9H-fluorene?
The canonical SMILES for 1-[1-(9H-fluoren-1-yl)oct-7-en-2-yl]-9H-fluorene is C=CCCCCC(Cc1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-[1-(9H-fluoren-1-yl)oct-7-en-2-yl]-9H-fluorene?
The InChIKey is MDHAMWRXFINMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32/c1-2-3-4-5-12-24(30-18-11-20-32-29-17-9-7-14-27(29)23-34(30)32)21-25-15-10-19-31-28-16-8-6-13-26(28)22-33(25)31/h2,6-11,13-20,24H,1,3-5,12,21-23H2.
What are the key properties of 1-[1-(9H-fluoren-1-yl)oct-7-en-2-yl]-9H-fluorene?
1-[1-(9H-fluoren-1-yl)oct-7-en-2-yl]-9H-fluorene has a molecular weight of 440.63 g/mol, XLogP of 8.90, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(9H-fluoren-1-yl)oct-7-en-2-yl]-9H-fluorene is sourced from PubChem (CID 19692117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).