6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole

C26H26Br2N2 — CID 166453411

IUPAC6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole
SMILESCC(C)(C)c1ccc2[nH]c3c(Br)c4c([nH]c5ccc(C(C)(C)C)cc54)c(Br)c3c2c1
InChIInChI=1S/C26H26Br2N2/c1-25(2,3)13-7-9-17-15(11-13)19-21(27)24-20(22(28)23(19)29-17)16-12-14(26(4,5)6)8-10-18(16)30-24/h7-12,29-30H,1-6H3
InChIKeyRPOJFTAZPPQGLK-UHFFFAOYSA-N
MW526.32 g/mol
LogP9.08
Rot. Bonds

About 6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole

6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole (PubChem CID 166453411) has the molecular formula C26H26Br2N2 and a molecular weight of 526.32 g/mol. Its IUPAC name is 6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole
PubChem CID166453411
Molecular FormulaC26H26Br2N2
Molecular Weight526.32 g/mol
Exact Mass524.05
IUPAC Name6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole
SMILESCC(C)(C)c1ccc2[nH]c3c(Br)c4c([nH]c5ccc(C(C)(C)C)cc54)c(Br)c3c2c1
InChIInChI=1S/C26H26Br2N2/c1-25(2,3)13-7-9-17-15(11-13)19-21(27)24-20(22(28)23(19)29-17)16-12-14(26(4,5)6)8-10-18(16)30-24/h7-12,29-30H,1-6H3
InChIKeyRPOJFTAZPPQGLK-UHFFFAOYSA-N
XLogP9.08
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.32
LogP ≤ 59.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole with MolForge

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Related Compounds

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CID 144609341
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3,4,6-tribromo-9H-carbazol-1-ol
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Frequently Asked Questions

What is the IUPAC name of 6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole?
The IUPAC name of 6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole (CID 166453411) is 6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole.
What is the SMILES notation for 6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole?
The canonical SMILES for 6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole is CC(C)(C)c1ccc2[nH]c3c(Br)c4c([nH]c5ccc(C(C)(C)C)cc54)c(Br)c3c2c1.
What is the InChIKey of 6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole?
The InChIKey is RPOJFTAZPPQGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Br2N2/c1-25(2,3)13-7-9-17-15(11-13)19-21(27)24-20(22(28)23(19)29-17)16-12-14(26(4,5)6)8-10-18(16)30-24/h7-12,29-30H,1-6H3.
What are the key properties of 6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole?
6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole has a molecular weight of 526.32 g/mol, XLogP of 9.08, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-dibromo-2,8-ditert-butyl-5,11-dihydroindolo[3,2-b]carbazole is sourced from PubChem (CID 166453411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).