9-[1-chloro-2-methyl-1-(1-methyl-9H-fluoren-9-yl)pent-3-en-2-yl]-1-methyl-9H-fluorene

C34H31Cl — CID 57039546

IUPAC9-[1-chloro-2-methyl-1-(1-methyl-9H-fluoren-9-yl)pent-3-en-2-yl]-1-methyl-9H-fluorene
SMILESCC=CC(C)(C1c2ccccc2-c2cccc(C)c21)C(Cl)C1c2ccccc2-c2cccc(C)c21
InChIInChI=1S/C34H31Cl/c1-5-20-34(4,32-28-17-9-7-15-24(28)26-19-11-13-22(3)30(26)32)33(35)31-27-16-8-6-14-23(27)25-18-10-12-21(2)29(25)31/h5-20,31-33H,1-4H3
InChIKeyYGCFNFNKYGSFQC-UHFFFAOYSA-N
MW475.08 g/mol
LogP9.42
Rot. Bonds4

About 9-[1-chloro-2-methyl-1-(1-methyl-9H-fluoren-9-yl)pent-3-en-2-yl]-1-methyl-9H-fluorene

9-[1-chloro-2-methyl-1-(1-methyl-9H-fluoren-9-yl)pent-3-en-2-yl]-1-methyl-9H-fluorene (PubChem CID 57039546) has the molecular formula C34H31Cl and a molecular weight of 475.08 g/mol. Its IUPAC name is 9-[1-chloro-2-methyl-1-(1-methyl-9H-fluoren-9-yl)pent-3-en-2-yl]-1-methyl-9H-fluorene.

Molecular Properties

Compound Name9-[1-chloro-2-methyl-1-(1-methyl-9H-fluoren-9-yl)pent-3-en-2-yl]-1-methyl-9H-fluorene
PubChem CID57039546
Molecular FormulaC34H31Cl
Molecular Weight475.08 g/mol
Exact Mass474.21
IUPAC Name9-[1-chloro-2-methyl-1-(1-methyl-9H-fluoren-9-yl)pent-3-en-2-yl]-1-methyl-9H-fluorene
SMILESCC=CC(C)(C1c2ccccc2-c2cccc(C)c21)C(Cl)C1c2ccccc2-c2cccc(C)c21
InChIInChI=1S/C34H31Cl/c1-5-20-34(4,32-28-17-9-7-15-24(28)26-19-11-13-22(3)30(26)32)33(35)31-27-16-8-6-14-23(27)25-18-10-12-21(2)29(25)31/h5-20,31-33H,1-4H3
InChIKeyYGCFNFNKYGSFQC-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.08
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[1-chloro-2-methyl-1-(1-methyl-9H-fluoren-9-yl)pent-3-en-2-yl]-1-methyl-9H-fluorene?
The IUPAC name of 9-[1-chloro-2-methyl-1-(1-methyl-9H-fluoren-9-yl)pent-3-en-2-yl]-1-methyl-9H-fluorene (CID 57039546) is 9-[1-chloro-2-methyl-1-(1-methyl-9H-fluoren-9-yl)pent-3-en-2-yl]-1-methyl-9H-fluorene.
What is the SMILES notation for 9-[1-chloro-2-methyl-1-(1-methyl-9H-fluoren-9-yl)pent-3-en-2-yl]-1-methyl-9H-fluorene?
The canonical SMILES for 9-[1-chloro-2-methyl-1-(1-methyl-9H-fluoren-9-yl)pent-3-en-2-yl]-1-methyl-9H-fluorene is CC=CC(C)(C1c2ccccc2-c2cccc(C)c21)C(Cl)C1c2ccccc2-c2cccc(C)c21.
What is the InChIKey of 9-[1-chloro-2-methyl-1-(1-methyl-9H-fluoren-9-yl)pent-3-en-2-yl]-1-methyl-9H-fluorene?
The InChIKey is YGCFNFNKYGSFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31Cl/c1-5-20-34(4,32-28-17-9-7-15-24(28)26-19-11-13-22(3)30(26)32)33(35)31-27-16-8-6-14-23(27)25-18-10-12-21(2)29(25)31/h5-20,31-33H,1-4H3.
What are the key properties of 9-[1-chloro-2-methyl-1-(1-methyl-9H-fluoren-9-yl)pent-3-en-2-yl]-1-methyl-9H-fluorene?
9-[1-chloro-2-methyl-1-(1-methyl-9H-fluoren-9-yl)pent-3-en-2-yl]-1-methyl-9H-fluorene has a molecular weight of 475.08 g/mol, XLogP of 9.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-chloro-2-methyl-1-(1-methyl-9H-fluoren-9-yl)pent-3-en-2-yl]-1-methyl-9H-fluorene is sourced from PubChem (CID 57039546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).