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

C36H32 — CID 163498832

IUPAC4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene
SMILESc1ccc2c(c1)Cc1cccc(C3(c4cccc5c4-c4ccccc4C5)C4CC5CC(C4)CC3C5)c1-2
InChIInChI=1S/C36H32/c1-3-11-30-24(7-1)20-26-9-5-13-32(34(26)30)36(28-16-22-15-23(18-28)19-29(36)17-22)33-14-6-10-27-21-25-8-2-4-12-31(25)35(27)33/h1-14,22-23,28-29H,15-21H2
InChIKeyWZLLMWMRSKOSQA-UHFFFAOYSA-N
MW464.65 g/mol
LogP8.57
Rot. Bonds2

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

4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene (PubChem CID 163498832) has the molecular formula C36H32 and a molecular weight of 464.65 g/mol. Its IUPAC name is 4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene.

Molecular Properties

Compound Name4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene
PubChem CID163498832
Molecular FormulaC36H32
Molecular Weight464.65 g/mol
Exact Mass464.25
IUPAC Name4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene
SMILESc1ccc2c(c1)Cc1cccc(C3(c4cccc5c4-c4ccccc4C5)C4CC5CC(C4)CC3C5)c1-2
InChIInChI=1S/C36H32/c1-3-11-30-24(7-1)20-26-9-5-13-32(34(26)30)36(28-16-22-15-23(18-28)19-29(36)17-22)33-14-6-10-27-21-25-8-2-4-12-31(25)35(27)33/h1-14,22-23,28-29H,15-21H2
InChIKeyWZLLMWMRSKOSQA-UHFFFAOYSA-N
XLogP8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 166050353
2-[4-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164819010
1-(2-naphthalen-2-yl-2-adamantyl)-9H-fluorene
CID 163601006
4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole
CID 164940878
2,2-bis(2-methylphenyl)adamantane
CID 173019574
N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407242
4'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[b]fluorene]
CID 168808869
spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 162698475
N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407260
N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 166807941
5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene]
CID 169099361
2,4-bis(4-phenylphenyl)-6-(3-phenyl-5-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 156561456

Frequently Asked Questions

What is the IUPAC name of 4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene?
The IUPAC name of 4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene (CID 163498832) is 4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene.
What is the SMILES notation for 4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene?
The canonical SMILES for 4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene is c1ccc2c(c1)Cc1cccc(C3(c4cccc5c4-c4ccccc4C5)C4CC5CC(C4)CC3C5)c1-2.
What is the InChIKey of 4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene?
The InChIKey is WZLLMWMRSKOSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32/c1-3-11-30-24(7-1)20-26-9-5-13-32(34(26)30)36(28-16-22-15-23(18-28)19-29(36)17-22)33-14-6-10-27-21-25-8-2-4-12-31(25)35(27)33/h1-14,22-23,28-29H,15-21H2.
What are the key properties of 4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene?
4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene has a molecular weight of 464.65 g/mol, XLogP of 8.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene is sourced from PubChem (CID 163498832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).