3-fluoren-1-ylidenepentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,4,6,8,10,12,14,16,18,20-decaene

C34H20 — CID 174810309

IUPAC3-fluoren-1-ylidenepentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,4,6,8,10,12,14,16,18,20-decaene
SMILESC1=c2ccccc2=c2c1c1c(=c3cccc4c3=Cc3ccccc3-4)cccc1c1ccccc21
InChIInChI=1S/C34H20/c1-3-11-23-21(9-1)19-31-25(23)15-7-16-27(31)30-18-8-17-29-26-13-5-6-14-28(26)33-24-12-4-2-10-22(24)20-32(33)34(29)30/h1-20H
InChIKeyIMQCETQKOCCJHF-UHFFFAOYSA-N
MW428.53 g/mol
LogP6.52
Rot. Bonds

About 3-fluoren-1-ylidenepentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,4,6,8,10,12,14,16,18,20-decaene

3-fluoren-1-ylidenepentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,4,6,8,10,12,14,16,18,20-decaene (PubChem CID 174810309) has the molecular formula C34H20 and a molecular weight of 428.53 g/mol. Its IUPAC name is 3-fluoren-1-ylidenepentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,4,6,8,10,12,14,16,18,20-decaene.

Molecular Properties

Compound Name3-fluoren-1-ylidenepentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,4,6,8,10,12,14,16,18,20-decaene
PubChem CID174810309
Molecular FormulaC34H20
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC Name3-fluoren-1-ylidenepentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,4,6,8,10,12,14,16,18,20-decaene
SMILESC1=c2ccccc2=c2c1c1c(=c3cccc4c3=Cc3ccccc3-4)cccc1c1ccccc21
InChIInChI=1S/C34H20/c1-3-11-23-21(9-1)19-31-25(23)15-7-16-27(31)30-18-8-17-29-26-13-5-6-14-28(26)33-24-12-4-2-10-22(24)20-32(33)34(29)30/h1-20H
InChIKeyIMQCETQKOCCJHF-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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CID 91183657

Frequently Asked Questions

What is the IUPAC name of 3-fluoren-1-ylidenepentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,4,6,8,10,12,14,16,18,20-decaene?
The IUPAC name of 3-fluoren-1-ylidenepentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,4,6,8,10,12,14,16,18,20-decaene (CID 174810309) is 3-fluoren-1-ylidenepentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,4,6,8,10,12,14,16,18,20-decaene.
What is the SMILES notation for 3-fluoren-1-ylidenepentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,4,6,8,10,12,14,16,18,20-decaene?
The canonical SMILES for 3-fluoren-1-ylidenepentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,4,6,8,10,12,14,16,18,20-decaene is C1=c2ccccc2=c2c1c1c(=c3cccc4c3=Cc3ccccc3-4)cccc1c1ccccc21.
What is the InChIKey of 3-fluoren-1-ylidenepentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,4,6,8,10,12,14,16,18,20-decaene?
The InChIKey is IMQCETQKOCCJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20/c1-3-11-23-21(9-1)19-31-25(23)15-7-16-27(31)30-18-8-17-29-26-13-5-6-14-28(26)33-24-12-4-2-10-22(24)20-32(33)34(29)30/h1-20H.
What are the key properties of 3-fluoren-1-ylidenepentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,4,6,8,10,12,14,16,18,20-decaene?
3-fluoren-1-ylidenepentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,4,6,8,10,12,14,16,18,20-decaene has a molecular weight of 428.53 g/mol, XLogP of 6.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoren-1-ylidenepentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,4,6,8,10,12,14,16,18,20-decaene is sourced from PubChem (CID 174810309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).