3-tert-butyl-6-methyl-9-[(E)-pent-2-en-2-yl]carbazole

C22H27N — CID 134301732

IUPAC3-tert-butyl-6-methyl-9-[(E)-pent-2-en-2-yl]carbazole
SMILESCC/C=C(\C)n1c2ccc(C)cc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C22H27N/c1-7-8-16(3)23-20-11-9-15(2)13-18(20)19-14-17(22(4,5)6)10-12-21(19)23/h8-14H,7H2,1-6H3/b16-8+
InChIKeyWRYNPEOWOQYPBA-LZYBPNLTSA-N
MW305.47 g/mol
LogP6.67
Rot. Bonds2

About 3-tert-butyl-6-methyl-9-[(E)-pent-2-en-2-yl]carbazole

3-tert-butyl-6-methyl-9-[(E)-pent-2-en-2-yl]carbazole (PubChem CID 134301732) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-9-[(E)-pent-2-en-2-yl]carbazole.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-9-[(E)-pent-2-en-2-yl]carbazole
PubChem CID134301732
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC Name3-tert-butyl-6-methyl-9-[(E)-pent-2-en-2-yl]carbazole
SMILESCC/C=C(\C)n1c2ccc(C)cc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C22H27N/c1-7-8-16(3)23-20-11-9-15(2)13-18(20)19-14-17(22(4,5)6)10-12-21(19)23/h8-14H,7H2,1-6H3/b16-8+
InChIKeyWRYNPEOWOQYPBA-LZYBPNLTSA-N
XLogP6.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Carbazole
CID 6854
Latrepirdine
CID 197033
Iprindole
CID 21722
3-Amino-9-ethylcarbazole
CID 8588
Mebhydrolin
CID 22530
2-Phenylindole
CID 13698
Avn-101
CID 42631003
N-ethyl carbazole
CID 6836
N-Vinylcarbazole
CID 15143
2,3-diphenyl-1H-indole
CID 77020
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
CID 4722579
1-Methyl-2-phenylindole
CID 77095

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-9-[(E)-pent-2-en-2-yl]carbazole?
The IUPAC name of 3-tert-butyl-6-methyl-9-[(E)-pent-2-en-2-yl]carbazole (CID 134301732) is 3-tert-butyl-6-methyl-9-[(E)-pent-2-en-2-yl]carbazole.
What is the SMILES notation for 3-tert-butyl-6-methyl-9-[(E)-pent-2-en-2-yl]carbazole?
The canonical SMILES for 3-tert-butyl-6-methyl-9-[(E)-pent-2-en-2-yl]carbazole is CC/C=C(\C)n1c2ccc(C)cc2c2cc(C(C)(C)C)ccc21.
What is the InChIKey of 3-tert-butyl-6-methyl-9-[(E)-pent-2-en-2-yl]carbazole?
The InChIKey is WRYNPEOWOQYPBA-LZYBPNLTSA-N. The full InChI is InChI=1S/C22H27N/c1-7-8-16(3)23-20-11-9-15(2)13-18(20)19-14-17(22(4,5)6)10-12-21(19)23/h8-14H,7H2,1-6H3/b16-8+.
What are the key properties of 3-tert-butyl-6-methyl-9-[(E)-pent-2-en-2-yl]carbazole?
3-tert-butyl-6-methyl-9-[(E)-pent-2-en-2-yl]carbazole has a molecular weight of 305.47 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-9-[(E)-pent-2-en-2-yl]carbazole is sourced from PubChem (CID 134301732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).