3-(9H-fluoren-9-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene

C28H22 — CID 90973968

IUPAC3-(9H-fluoren-9-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene
SMILESCC1=C(CC2c3ccccc3-c3ccccc32)C2=Cc3ccccc3CC2=C1
InChIInChI=1S/C28H22/c1-18-14-21-15-19-8-2-3-9-20(19)16-27(21)26(18)17-28-24-12-6-4-10-22(24)23-11-5-7-13-25(23)28/h2-14,16,28H,15,17H2,1H3
InChIKeySSKVRAPPYMQRMS-UHFFFAOYSA-N
MW358.48 g/mol
LogP7.09
Rot. Bonds2

About 3-(9H-fluoren-9-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene

3-(9H-fluoren-9-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene (PubChem CID 90973968) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 3-(9H-fluoren-9-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name3-(9H-fluoren-9-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene
PubChem CID90973968
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name3-(9H-fluoren-9-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene
SMILESCC1=C(CC2c3ccccc3-c3ccccc32)C2=Cc3ccccc3CC2=C1
InChIInChI=1S/C28H22/c1-18-14-21-15-19-8-2-3-9-20(19)16-27(21)26(18)17-28-24-12-6-4-10-22(24)23-11-5-7-13-25(23)28/h2-14,16,28H,15,17H2,1H3
InChIKeySSKVRAPPYMQRMS-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene?
The IUPAC name of 3-(9H-fluoren-9-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene (CID 90973968) is 3-(9H-fluoren-9-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene.
What is the SMILES notation for 3-(9H-fluoren-9-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene?
The canonical SMILES for 3-(9H-fluoren-9-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene is CC1=C(CC2c3ccccc3-c3ccccc32)C2=Cc3ccccc3CC2=C1.
What is the InChIKey of 3-(9H-fluoren-9-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene?
The InChIKey is SSKVRAPPYMQRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22/c1-18-14-21-15-19-8-2-3-9-20(19)16-27(21)26(18)17-28-24-12-6-4-10-22(24)23-11-5-7-13-25(23)28/h2-14,16,28H,15,17H2,1H3.
What are the key properties of 3-(9H-fluoren-9-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene?
3-(9H-fluoren-9-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene has a molecular weight of 358.48 g/mol, XLogP of 7.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-ylmethyl)-2-methyl-9H-cyclopenta[b]naphthalene is sourced from PubChem (CID 90973968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).