3-(2-bromo-2-adamantyl)-9-phenylcarbazole

C28H26BrN — CID 155642852

IUPAC3-(2-bromo-2-adamantyl)-9-phenylcarbazole
SMILESBrC1(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C28H26BrN/c29-28(21-13-18-12-19(15-21)16-22(28)14-18)20-10-11-27-25(17-20)24-8-4-5-9-26(24)30(27)23-6-2-1-3-7-23/h1-11,17-19,21-22H,12-16H2
InChIKeyCZHVGYVQNUTQPG-UHFFFAOYSA-N
MW456.43 g/mol
LogP7.83
Rot. Bonds2

About 3-(2-bromo-2-adamantyl)-9-phenylcarbazole

3-(2-bromo-2-adamantyl)-9-phenylcarbazole (PubChem CID 155642852) has the molecular formula C28H26BrN and a molecular weight of 456.43 g/mol. Its IUPAC name is 3-(2-bromo-2-adamantyl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(2-bromo-2-adamantyl)-9-phenylcarbazole
PubChem CID155642852
Molecular FormulaC28H26BrN
Molecular Weight456.43 g/mol
Exact Mass455.12
IUPAC Name3-(2-bromo-2-adamantyl)-9-phenylcarbazole
SMILESBrC1(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C28H26BrN/c29-28(21-13-18-12-19(15-21)16-22(28)14-18)20-10-11-27-25(17-20)24-8-4-5-9-26(24)30(27)23-6-2-1-3-7-23/h1-11,17-19,21-22H,12-16H2
InChIKeyCZHVGYVQNUTQPG-UHFFFAOYSA-N
XLogP7.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.43
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-[2-(9-phenylcarbazol-3-yl)-2-adamantyl]-sulfanylidene-λ5-phosphane
CID 155332371
[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane
CID 155642855
3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole
CID 121422322
9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole
CID 155332348
9-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-adamantyl]phenyl]carbazole
CID 155332262
9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole
CID 118965630
9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole
CID 164819192
9-(2-carbazol-9-ylcyclobutyl)carbazole;9-[4-[2-(4-carbazol-9-ylphenyl)-2-adamantyl]phenyl]carbazole;9-[3-[2-[2-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 165038792
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
3-[3-(4,6-diphenylpyrimidin-2-yl)-1-adamantyl]-9-phenylcarbazole
CID 155374933
3-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-adamantyl]-9-phenylcarbazole
CID 155332158
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810248

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-2-adamantyl)-9-phenylcarbazole?
The IUPAC name of 3-(2-bromo-2-adamantyl)-9-phenylcarbazole (CID 155642852) is 3-(2-bromo-2-adamantyl)-9-phenylcarbazole.
What is the SMILES notation for 3-(2-bromo-2-adamantyl)-9-phenylcarbazole?
The canonical SMILES for 3-(2-bromo-2-adamantyl)-9-phenylcarbazole is BrC1(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 3-(2-bromo-2-adamantyl)-9-phenylcarbazole?
The InChIKey is CZHVGYVQNUTQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26BrN/c29-28(21-13-18-12-19(15-21)16-22(28)14-18)20-10-11-27-25(17-20)24-8-4-5-9-26(24)30(27)23-6-2-1-3-7-23/h1-11,17-19,21-22H,12-16H2.
What are the key properties of 3-(2-bromo-2-adamantyl)-9-phenylcarbazole?
3-(2-bromo-2-adamantyl)-9-phenylcarbazole has a molecular weight of 456.43 g/mol, XLogP of 7.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-2-adamantyl)-9-phenylcarbazole is sourced from PubChem (CID 155642852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).