1-tert-butyl-4-chloro-2-phenylindole

C18H18ClN — CID 134835950

IUPAC1-tert-butyl-4-chloro-2-phenylindole
SMILESCC(C)(C)n1c(-c2ccccc2)cc2c(Cl)cccc21
InChIInChI=1S/C18H18ClN/c1-18(2,3)20-16-11-7-10-15(19)14(16)12-17(20)13-8-5-4-6-9-13/h4-12H,1-3H3
InChIKeyQKSBKWMIKSUHNU-UHFFFAOYSA-N
MW283.80 g/mol
LogP5.72
Rot. Bonds1

About 1-tert-butyl-4-chloro-2-phenylindole

1-tert-butyl-4-chloro-2-phenylindole (PubChem CID 134835950) has the molecular formula C18H18ClN and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-tert-butyl-4-chloro-2-phenylindole.

Molecular Properties

Compound Name1-tert-butyl-4-chloro-2-phenylindole
PubChem CID134835950
Molecular FormulaC18H18ClN
Molecular Weight283.80 g/mol
Exact Mass283.11
IUPAC Name1-tert-butyl-4-chloro-2-phenylindole
SMILESCC(C)(C)n1c(-c2ccccc2)cc2c(Cl)cccc21
InChIInChI=1S/C18H18ClN/c1-18(2,3)20-16-11-7-10-15(19)14(16)12-17(20)13-8-5-4-6-9-13/h4-12H,1-3H3
InChIKeyQKSBKWMIKSUHNU-UHFFFAOYSA-N
XLogP5.72
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.80
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 163621897
9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole
CID 167590629
9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-1,8-diphenylcarbazole;9-tert-butyl-1-phenylcarbazole;methane
CID 159278702
9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 161436375
2-(4-chloro-1-propan-2-ylindol-2-yl)propan-2-amine
CID 117120452
3-(9-tert-butylcarbazol-3-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
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9-tert-butyl-2-fluorocarbazole
CID 177283340
9-tert-butylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;3-(9-tert-butylcarbazol-3-yl)-9-phenylcarbazole;9-tert-butyl-3,6-di(carbazol-9-yl)carbazole
CID 164959111
9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;3-(9-tert-butylcarbazol-2-yl)-9-phenylcarbazole;3-(9-tert-butylcarbazol-3-yl)-9-phenylcarbazole
CID 158518271
9-[2-(2-chlorophenyl)-6-phenylphenyl]carbazole
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-chloro-2-phenylindole?
The IUPAC name of 1-tert-butyl-4-chloro-2-phenylindole (CID 134835950) is 1-tert-butyl-4-chloro-2-phenylindole.
What is the SMILES notation for 1-tert-butyl-4-chloro-2-phenylindole?
The canonical SMILES for 1-tert-butyl-4-chloro-2-phenylindole is CC(C)(C)n1c(-c2ccccc2)cc2c(Cl)cccc21.
What is the InChIKey of 1-tert-butyl-4-chloro-2-phenylindole?
The InChIKey is QKSBKWMIKSUHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN/c1-18(2,3)20-16-11-7-10-15(19)14(16)12-17(20)13-8-5-4-6-9-13/h4-12H,1-3H3.
What are the key properties of 1-tert-butyl-4-chloro-2-phenylindole?
1-tert-butyl-4-chloro-2-phenylindole has a molecular weight of 283.80 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-chloro-2-phenylindole is sourced from PubChem (CID 134835950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).