5-tert-butyl-7H-indolo[2,3-b]carbazole

C22H20N2 — CID 122593552

IUPAC5-tert-butyl-7H-indolo[2,3-b]carbazole
SMILESCC(C)(C)n1c2ccccc2c2cc3c(cc21)[nH]c1ccccc13
InChIInChI=1S/C22H20N2/c1-22(2,3)24-20-11-7-5-9-15(20)17-12-16-14-8-4-6-10-18(14)23-19(16)13-21(17)24/h4-13,23H,1-3H3
InChIKeyZDGUPGACKXGMFW-UHFFFAOYSA-N
MW312.42 g/mol
LogP6.18
Rot. Bonds

About 5-tert-butyl-7H-indolo[2,3-b]carbazole

5-tert-butyl-7H-indolo[2,3-b]carbazole (PubChem CID 122593552) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-tert-butyl-7H-indolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-tert-butyl-7H-indolo[2,3-b]carbazole
PubChem CID122593552
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name5-tert-butyl-7H-indolo[2,3-b]carbazole
SMILESCC(C)(C)n1c2ccccc2c2cc3c(cc21)[nH]c1ccccc13
InChIInChI=1S/C22H20N2/c1-22(2,3)24-20-11-7-5-9-15(20)17-12-16-14-8-4-6-10-18(14)23-19(16)13-21(17)24/h4-13,23H,1-3H3
InChIKeyZDGUPGACKXGMFW-UHFFFAOYSA-N
XLogP6.18
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7H-indolo[2,3-b]carbazole?
The IUPAC name of 5-tert-butyl-7H-indolo[2,3-b]carbazole (CID 122593552) is 5-tert-butyl-7H-indolo[2,3-b]carbazole.
What is the SMILES notation for 5-tert-butyl-7H-indolo[2,3-b]carbazole?
The canonical SMILES for 5-tert-butyl-7H-indolo[2,3-b]carbazole is CC(C)(C)n1c2ccccc2c2cc3c(cc21)[nH]c1ccccc13.
What is the InChIKey of 5-tert-butyl-7H-indolo[2,3-b]carbazole?
The InChIKey is ZDGUPGACKXGMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-22(2,3)24-20-11-7-5-9-15(20)17-12-16-14-8-4-6-10-18(14)23-19(16)13-21(17)24/h4-13,23H,1-3H3.
What are the key properties of 5-tert-butyl-7H-indolo[2,3-b]carbazole?
5-tert-butyl-7H-indolo[2,3-b]carbazole has a molecular weight of 312.42 g/mol, XLogP of 6.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7H-indolo[2,3-b]carbazole is sourced from PubChem (CID 122593552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).