3-tert-butyl-11-methyl-[1]benzofuro[3,2-b]carbazole

C23H21NO — CID 169028006

IUPAC3-tert-butyl-11-methyl-[1]benzofuro[3,2-b]carbazole
SMILESCn1c2ccccc2c2cc3oc4cc(C(C)(C)C)ccc4c3cc21
InChIInChI=1S/C23H21NO/c1-23(2,3)14-9-10-16-18-12-20-17(13-22(18)25-21(16)11-14)15-7-5-6-8-19(15)24(20)4/h5-13H,1-4H3
InChIKeyOJWMRWAXCJEKJF-UHFFFAOYSA-N
MW327.43 g/mol
LogP6.53
Rot. Bonds

About 3-tert-butyl-11-methyl-[1]benzofuro[3,2-b]carbazole

3-tert-butyl-11-methyl-[1]benzofuro[3,2-b]carbazole (PubChem CID 169028006) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-tert-butyl-11-methyl-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name3-tert-butyl-11-methyl-[1]benzofuro[3,2-b]carbazole
PubChem CID169028006
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name3-tert-butyl-11-methyl-[1]benzofuro[3,2-b]carbazole
SMILESCn1c2ccccc2c2cc3oc4cc(C(C)(C)C)ccc4c3cc21
InChIInChI=1S/C23H21NO/c1-23(2,3)14-9-10-16-18-12-20-17(13-22(18)25-21(16)11-14)15-7-5-6-8-19(15)24(20)4/h5-13H,1-4H3
InChIKeyOJWMRWAXCJEKJF-UHFFFAOYSA-N
XLogP6.53
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzofuran-2-yl-9-methylcarbazole
CID 121307339
7-tert-butyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 118153211
9-(17-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147323
9-tert-butylnaphtho[2,3-b][1]benzofuran
CID 164787408
3-bromo-7-tert-butyldibenzofuran
CID 134401866
11-methyl-7-phenyl-[1]benzofuro[3,2-b]carbazole
CID 169027784
2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
CID 144568487
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
ethane;bis(9-methylcarbazole)
CID 159710949
5,11-diphenylindolo[3,2-b]carbazole;11-methyl-[1]benzofuro[3,2-b]carbazole;5-methyl-11-phenylindolo[3,2-b]carbazole;11-phenyl-[1]benzofuro[3,2-b]carbazole;11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 158354854
7-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole
CID 167259971
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-11-methyl-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 3-tert-butyl-11-methyl-[1]benzofuro[3,2-b]carbazole (CID 169028006) is 3-tert-butyl-11-methyl-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 3-tert-butyl-11-methyl-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 3-tert-butyl-11-methyl-[1]benzofuro[3,2-b]carbazole is Cn1c2ccccc2c2cc3oc4cc(C(C)(C)C)ccc4c3cc21.
What is the InChIKey of 3-tert-butyl-11-methyl-[1]benzofuro[3,2-b]carbazole?
The InChIKey is OJWMRWAXCJEKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-23(2,3)14-9-10-16-18-12-20-17(13-22(18)25-21(16)11-14)15-7-5-6-8-19(15)24(20)4/h5-13H,1-4H3.
What are the key properties of 3-tert-butyl-11-methyl-[1]benzofuro[3,2-b]carbazole?
3-tert-butyl-11-methyl-[1]benzofuro[3,2-b]carbazole has a molecular weight of 327.43 g/mol, XLogP of 6.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-11-methyl-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 169028006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).