2-(4-tert-butylphenyl)-9-iodocarbazole

C22H20IN — CID 174193015

IUPAC2-(4-tert-butylphenyl)-9-iodocarbazole
SMILESCC(C)(C)c1ccc(-c2ccc3c4ccccc4n(I)c3c2)cc1
InChIInChI=1S/C22H20IN/c1-22(2,3)17-11-8-15(9-12-17)16-10-13-19-18-6-4-5-7-20(18)24(23)21(19)14-16/h4-14H,1-3H3
InChIKeyUAVOXLLIGOZYJB-UHFFFAOYSA-N
MW425.31 g/mol
LogP6.96
Rot. Bonds1

About 2-(4-tert-butylphenyl)-9-iodocarbazole

2-(4-tert-butylphenyl)-9-iodocarbazole (PubChem CID 174193015) has the molecular formula C22H20IN and a molecular weight of 425.31 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-9-iodocarbazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-9-iodocarbazole
PubChem CID174193015
Molecular FormulaC22H20IN
Molecular Weight425.31 g/mol
Exact Mass425.06
IUPAC Name2-(4-tert-butylphenyl)-9-iodocarbazole
SMILESCC(C)(C)c1ccc(-c2ccc3c4ccccc4n(I)c3c2)cc1
InChIInChI=1S/C22H20IN/c1-22(2,3)17-11-8-15(9-12-17)16-10-13-19-18-6-4-5-7-20(18)24(23)21(19)14-16/h4-14H,1-3H3
InChIKeyUAVOXLLIGOZYJB-UHFFFAOYSA-N
XLogP6.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.31
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-iodo-2-(9-iodocarbazol-2-yl)-6-[3-[3-(9-iodo-6-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 126517762
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole
CID 126685172
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
10-iodo-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 126517456
9-iodo-2-methyliodanuidylcarbazole
CID 153177076
6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509139
2-tert-butyl-9-(4-phenylphenyl)-7-[9-(4-propan-2-ylphenyl)carbazol-2-yl]carbazole
CID 134419811
5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 118042341
2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-(9-phenylcarbazol-3-yl)carbazole;9-(4-tert-butylphenyl)-3-carbazol-9-ylcarbazole;3-tert-butyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159742903

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-9-iodocarbazole?
The IUPAC name of 2-(4-tert-butylphenyl)-9-iodocarbazole (CID 174193015) is 2-(4-tert-butylphenyl)-9-iodocarbazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-9-iodocarbazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-9-iodocarbazole is CC(C)(C)c1ccc(-c2ccc3c4ccccc4n(I)c3c2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-9-iodocarbazole?
The InChIKey is UAVOXLLIGOZYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20IN/c1-22(2,3)17-11-8-15(9-12-17)16-10-13-19-18-6-4-5-7-20(18)24(23)21(19)14-16/h4-14H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-9-iodocarbazole?
2-(4-tert-butylphenyl)-9-iodocarbazole has a molecular weight of 425.31 g/mol, XLogP of 6.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-9-iodocarbazole is sourced from PubChem (CID 174193015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).