1,8-ditert-butyl-9-ethylcarbazole

C22H29N — CID 142290146

IUPAC1,8-ditert-butyl-9-ethylcarbazole
SMILESCCn1c2c(C(C)(C)C)cccc2c2cccc(C(C)(C)C)c21
InChIInChI=1S/C22H29N/c1-8-23-19-15(11-9-13-17(19)21(2,3)4)16-12-10-14-18(20(16)23)22(5,6)7/h9-14H,8H2,1-7H3
InChIKeyXAGQWWZMAQVXIB-UHFFFAOYSA-N
MW307.48 g/mol
LogP6.41
Rot. Bonds1

About 1,8-ditert-butyl-9-ethylcarbazole

1,8-ditert-butyl-9-ethylcarbazole (PubChem CID 142290146) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is 1,8-ditert-butyl-9-ethylcarbazole.

Molecular Properties

Compound Name1,8-ditert-butyl-9-ethylcarbazole
PubChem CID142290146
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name1,8-ditert-butyl-9-ethylcarbazole
SMILESCCn1c2c(C(C)(C)C)cccc2c2cccc(C(C)(C)C)c21
InChIInChI=1S/C22H29N/c1-8-23-19-15(11-9-13-17(19)21(2,3)4)16-12-10-14-18(20(16)23)22(5,6)7/h9-14H,8H2,1-7H3
InChIKeyXAGQWWZMAQVXIB-UHFFFAOYSA-N
XLogP6.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 59882824
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1-bromo-9-ethylcarbazole
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bis[4-(dimethylamino)phenyl]-(9-ethylcarbazol-1-yl)methanol;methoxymethane
CID 70415000
1-tert-butyl-5-fluoronaphthalene
CID 14176344
tetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane
CID 140735561
2-[1-ethyl-7-(trifluoromethyl)indol-3-yl]-2-methylpropanoic acid
CID 117197367
2,7-ditert-butyl-9-ethylcarbazole-3,6-diol
CID 102526879
21-ethyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 20520657
CID 175472927
CID 175472927
3,8-ditert-butyl-4-ethylquinoline
CID 129258354

Frequently Asked Questions

What is the IUPAC name of 1,8-ditert-butyl-9-ethylcarbazole?
The IUPAC name of 1,8-ditert-butyl-9-ethylcarbazole (CID 142290146) is 1,8-ditert-butyl-9-ethylcarbazole.
What is the SMILES notation for 1,8-ditert-butyl-9-ethylcarbazole?
The canonical SMILES for 1,8-ditert-butyl-9-ethylcarbazole is CCn1c2c(C(C)(C)C)cccc2c2cccc(C(C)(C)C)c21.
What is the InChIKey of 1,8-ditert-butyl-9-ethylcarbazole?
The InChIKey is XAGQWWZMAQVXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N/c1-8-23-19-15(11-9-13-17(19)21(2,3)4)16-12-10-14-18(20(16)23)22(5,6)7/h9-14H,8H2,1-7H3.
What are the key properties of 1,8-ditert-butyl-9-ethylcarbazole?
1,8-ditert-butyl-9-ethylcarbazole has a molecular weight of 307.48 g/mol, XLogP of 6.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-ditert-butyl-9-ethylcarbazole is sourced from PubChem (CID 142290146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).