3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene

C31H31Br — CID 156756411

IUPAC3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(Br)cc21
InChIInChI=1S/C31H31Br/c1-30(2)27-6-4-3-5-24(27)26-14-25(29(32)15-28(26)30)22-7-9-23(10-8-22)31-16-19-11-20(17-31)13-21(12-19)18-31/h3-10,14-15,19-21H,11-13,16-18H2,1-2H3
InChIKeyATRVFFUMABPLKF-UHFFFAOYSA-N
MW483.49 g/mol
LogP8.89
Rot. Bonds2

About 3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene

3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene (PubChem CID 156756411) has the molecular formula C31H31Br and a molecular weight of 483.49 g/mol. Its IUPAC name is 3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene.

Molecular Properties

Compound Name3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene
PubChem CID156756411
Molecular FormulaC31H31Br
Molecular Weight483.49 g/mol
Exact Mass482.16
IUPAC Name3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(Br)cc21
InChIInChI=1S/C31H31Br/c1-30(2)27-6-4-3-5-24(27)26-14-25(29(32)15-28(26)30)22-7-9-23(10-8-22)31-16-19-11-20(17-31)13-21(12-19)18-31/h3-10,14-15,19-21H,11-13,16-18H2,1-2H3
InChIKeyATRVFFUMABPLKF-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-adamantyl)-9,9-dimethylfluorene
CID 59217277
N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 156556685
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(3,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 130203842
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130197569
N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 156556632
N-[4-(1-adamantyl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028657
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 130203990
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-pyridin-4-ylphenyl)fluoren-2-amine
CID 130203663
7-(1-adamantyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 146578864
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 171439076
N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028677
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028364

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene?
The IUPAC name of 3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene (CID 156756411) is 3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene.
What is the SMILES notation for 3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene?
The canonical SMILES for 3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2cc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c(Br)cc21.
What is the InChIKey of 3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene?
The InChIKey is ATRVFFUMABPLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31Br/c1-30(2)27-6-4-3-5-24(27)26-14-25(29(32)15-28(26)30)22-7-9-23(10-8-22)31-16-19-11-20(17-31)13-21(12-19)18-31/h3-10,14-15,19-21H,11-13,16-18H2,1-2H3.
What are the key properties of 3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene?
3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene has a molecular weight of 483.49 g/mol, XLogP of 8.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-adamantyl)phenyl]-2-bromo-9,9-dimethylfluorene is sourced from PubChem (CID 156756411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).