6-bromo-3-[2-(9H-fluoren-9-yl)ethyl]-2,9-dimethyl-3H-cyclopenta[b]naphthalene

C30H25Br — CID 67040191

IUPAC6-bromo-3-[2-(9H-fluoren-9-yl)ethyl]-2,9-dimethyl-3H-cyclopenta[b]naphthalene
SMILESCC1=Cc2c(cc3cc(Br)ccc3c2C)C1CCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H25Br/c1-18-15-29-19(2)23-12-11-21(31)16-20(23)17-30(29)22(18)13-14-28-26-9-5-3-7-24(26)25-8-4-6-10-27(25)28/h3-12,15-17,22,28H,13-14H2,1-2H3
InChIKeyKAJJXVFVMCROJY-UHFFFAOYSA-N
MW465.43 g/mol
LogP9.00
Rot. Bonds3

About 6-bromo-3-[2-(9H-fluoren-9-yl)ethyl]-2,9-dimethyl-3H-cyclopenta[b]naphthalene

6-bromo-3-[2-(9H-fluoren-9-yl)ethyl]-2,9-dimethyl-3H-cyclopenta[b]naphthalene (PubChem CID 67040191) has the molecular formula C30H25Br and a molecular weight of 465.43 g/mol. Its IUPAC name is 6-bromo-3-[2-(9H-fluoren-9-yl)ethyl]-2,9-dimethyl-3H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name6-bromo-3-[2-(9H-fluoren-9-yl)ethyl]-2,9-dimethyl-3H-cyclopenta[b]naphthalene
PubChem CID67040191
Molecular FormulaC30H25Br
Molecular Weight465.43 g/mol
Exact Mass464.11
IUPAC Name6-bromo-3-[2-(9H-fluoren-9-yl)ethyl]-2,9-dimethyl-3H-cyclopenta[b]naphthalene
SMILESCC1=Cc2c(cc3cc(Br)ccc3c2C)C1CCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H25Br/c1-18-15-29-19(2)23-12-11-21(31)16-20(23)17-30(29)22(18)13-14-28-26-9-5-3-7-24(26)25-8-4-6-10-27(25)28/h3-12,15-17,22,28H,13-14H2,1-2H3
InChIKeyKAJJXVFVMCROJY-UHFFFAOYSA-N
XLogP9.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.43
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[2-(9H-fluoren-9-yl)ethyl]-2,9-dimethyl-3H-cyclopenta[b]naphthalene?
The IUPAC name of 6-bromo-3-[2-(9H-fluoren-9-yl)ethyl]-2,9-dimethyl-3H-cyclopenta[b]naphthalene (CID 67040191) is 6-bromo-3-[2-(9H-fluoren-9-yl)ethyl]-2,9-dimethyl-3H-cyclopenta[b]naphthalene.
What is the SMILES notation for 6-bromo-3-[2-(9H-fluoren-9-yl)ethyl]-2,9-dimethyl-3H-cyclopenta[b]naphthalene?
The canonical SMILES for 6-bromo-3-[2-(9H-fluoren-9-yl)ethyl]-2,9-dimethyl-3H-cyclopenta[b]naphthalene is CC1=Cc2c(cc3cc(Br)ccc3c2C)C1CCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 6-bromo-3-[2-(9H-fluoren-9-yl)ethyl]-2,9-dimethyl-3H-cyclopenta[b]naphthalene?
The InChIKey is KAJJXVFVMCROJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Br/c1-18-15-29-19(2)23-12-11-21(31)16-20(23)17-30(29)22(18)13-14-28-26-9-5-3-7-24(26)25-8-4-6-10-27(25)28/h3-12,15-17,22,28H,13-14H2,1-2H3.
What are the key properties of 6-bromo-3-[2-(9H-fluoren-9-yl)ethyl]-2,9-dimethyl-3H-cyclopenta[b]naphthalene?
6-bromo-3-[2-(9H-fluoren-9-yl)ethyl]-2,9-dimethyl-3H-cyclopenta[b]naphthalene has a molecular weight of 465.43 g/mol, XLogP of 9.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[2-(9H-fluoren-9-yl)ethyl]-2,9-dimethyl-3H-cyclopenta[b]naphthalene is sourced from PubChem (CID 67040191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).