1-(2-naphthalen-2-yl-2-adamantyl)-9H-fluorene

C33H30 — CID 163601006

IUPAC1-(2-naphthalen-2-yl-2-adamantyl)-9H-fluorene
SMILESc1ccc2c(c1)Cc1c-2cccc1C1(c2ccc3ccccc3c2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C33H30/c1-2-7-24-19-26(13-12-23(24)6-1)33(27-15-21-14-22(17-27)18-28(33)16-21)32-11-5-10-30-29-9-4-3-8-25(29)20-31(30)32/h1-13,19,21-22,27-28H,14-18,20H2
InChIKeyVQLMBLZEJYUDNF-UHFFFAOYSA-N
MW426.60 g/mol
LogP8.15
Rot. Bonds2

About 1-(2-naphthalen-2-yl-2-adamantyl)-9H-fluorene

1-(2-naphthalen-2-yl-2-adamantyl)-9H-fluorene (PubChem CID 163601006) has the molecular formula C33H30 and a molecular weight of 426.60 g/mol. Its IUPAC name is 1-(2-naphthalen-2-yl-2-adamantyl)-9H-fluorene.

Molecular Properties

Compound Name1-(2-naphthalen-2-yl-2-adamantyl)-9H-fluorene
PubChem CID163601006
Molecular FormulaC33H30
Molecular Weight426.60 g/mol
Exact Mass426.23
IUPAC Name1-(2-naphthalen-2-yl-2-adamantyl)-9H-fluorene
SMILESc1ccc2c(c1)Cc1c-2cccc1C1(c2ccc3ccccc3c2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C33H30/c1-2-7-24-19-26(13-12-23(24)6-1)33(27-15-21-14-22(17-27)18-28(33)16-21)32-11-5-10-30-29-9-4-3-8-25(29)20-31(30)32/h1-13,19,21-22,27-28H,14-18,20H2
InChIKeyVQLMBLZEJYUDNF-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-2-yl-2-adamantyl)-9H-fluorene?
The IUPAC name of 1-(2-naphthalen-2-yl-2-adamantyl)-9H-fluorene (CID 163601006) is 1-(2-naphthalen-2-yl-2-adamantyl)-9H-fluorene.
What is the SMILES notation for 1-(2-naphthalen-2-yl-2-adamantyl)-9H-fluorene?
The canonical SMILES for 1-(2-naphthalen-2-yl-2-adamantyl)-9H-fluorene is c1ccc2c(c1)Cc1c-2cccc1C1(c2ccc3ccccc3c2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-naphthalen-2-yl-2-adamantyl)-9H-fluorene?
The InChIKey is VQLMBLZEJYUDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30/c1-2-7-24-19-26(13-12-23(24)6-1)33(27-15-21-14-22(17-27)18-28(33)16-21)32-11-5-10-30-29-9-4-3-8-25(29)20-31(30)32/h1-13,19,21-22,27-28H,14-18,20H2.
What are the key properties of 1-(2-naphthalen-2-yl-2-adamantyl)-9H-fluorene?
1-(2-naphthalen-2-yl-2-adamantyl)-9H-fluorene has a molecular weight of 426.60 g/mol, XLogP of 8.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-2-yl-2-adamantyl)-9H-fluorene is sourced from PubChem (CID 163601006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).