2-[4-(9H-fluoren-2-yl)-3-methylidenepentan-2-yl]-9H-fluorene

C32H28 — CID 123999065

IUPAC2-[4-(9H-fluoren-2-yl)-3-methylidenepentan-2-yl]-9H-fluorene
SMILESC=C(C(C)c1ccc2c(c1)Cc1ccccc1-2)C(C)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C32H28/c1-20(21(2)23-12-14-31-27(16-23)18-25-8-4-6-10-29(25)31)22(3)24-13-15-32-28(17-24)19-26-9-5-7-11-30(26)32/h4-17,21-22H,1,18-19H2,2-3H3
InChIKeyYAAGQWKVDMGNHE-UHFFFAOYSA-N
MW412.58 g/mol
LogP8.29
Rot. Bonds4

About 2-[4-(9H-fluoren-2-yl)-3-methylidenepentan-2-yl]-9H-fluorene

2-[4-(9H-fluoren-2-yl)-3-methylidenepentan-2-yl]-9H-fluorene (PubChem CID 123999065) has the molecular formula C32H28 and a molecular weight of 412.58 g/mol. Its IUPAC name is 2-[4-(9H-fluoren-2-yl)-3-methylidenepentan-2-yl]-9H-fluorene.

Molecular Properties

Compound Name2-[4-(9H-fluoren-2-yl)-3-methylidenepentan-2-yl]-9H-fluorene
PubChem CID123999065
Molecular FormulaC32H28
Molecular Weight412.58 g/mol
Exact Mass412.22
IUPAC Name2-[4-(9H-fluoren-2-yl)-3-methylidenepentan-2-yl]-9H-fluorene
SMILESC=C(C(C)c1ccc2c(c1)Cc1ccccc1-2)C(C)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C32H28/c1-20(21(2)23-12-14-31-27(16-23)18-25-8-4-6-10-29(25)31)22(3)24-13-15-32-28(17-24)19-26-9-5-7-11-30(26)32/h4-17,21-22H,1,18-19H2,2-3H3
InChIKeyYAAGQWKVDMGNHE-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-1-amino-1-(9H-fluoren-2-yl)propan-2-ol
CID 171270727
(1S,2R)-1-amino-1-(9H-fluoren-2-yl)propan-2-ol;hydrochloride
CID 171270728
N-[1-(9H-fluoren-2-yl)ethyl]propan-2-amine
CID 43095190
2-(1-bromopropan-2-yl)-9H-fluorene
CID 66469849
1-[1-(9H-fluoren-2-yl)ethylamino]propan-2-ol
CID 43499372
2-amino-1-(9H-fluoren-2-yl)ethanol
CID 14023206
2-[(1R)-1-azidoethyl]-9H-fluorene
CID 104853513
(4-aminophenyl)-(9H-fluoren-2-yl)methanol
CID 91678822
(1R,2S)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol
CID 171265056
(1S,2R)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol
CID 171270729
1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine
CID 64634231
4-[1-(9H-fluoren-2-yl)ethylamino]butan-1-ol
CID 106840519

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9H-fluoren-2-yl)-3-methylidenepentan-2-yl]-9H-fluorene?
The IUPAC name of 2-[4-(9H-fluoren-2-yl)-3-methylidenepentan-2-yl]-9H-fluorene (CID 123999065) is 2-[4-(9H-fluoren-2-yl)-3-methylidenepentan-2-yl]-9H-fluorene.
What is the SMILES notation for 2-[4-(9H-fluoren-2-yl)-3-methylidenepentan-2-yl]-9H-fluorene?
The canonical SMILES for 2-[4-(9H-fluoren-2-yl)-3-methylidenepentan-2-yl]-9H-fluorene is C=C(C(C)c1ccc2c(c1)Cc1ccccc1-2)C(C)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-[4-(9H-fluoren-2-yl)-3-methylidenepentan-2-yl]-9H-fluorene?
The InChIKey is YAAGQWKVDMGNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28/c1-20(21(2)23-12-14-31-27(16-23)18-25-8-4-6-10-29(25)31)22(3)24-13-15-32-28(17-24)19-26-9-5-7-11-30(26)32/h4-17,21-22H,1,18-19H2,2-3H3.
What are the key properties of 2-[4-(9H-fluoren-2-yl)-3-methylidenepentan-2-yl]-9H-fluorene?
2-[4-(9H-fluoren-2-yl)-3-methylidenepentan-2-yl]-9H-fluorene has a molecular weight of 412.58 g/mol, XLogP of 8.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9H-fluoren-2-yl)-3-methylidenepentan-2-yl]-9H-fluorene is sourced from PubChem (CID 123999065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).