3,6-ditert-butyl-1-(3,6-ditert-butyl-9H-carbazol-1-yl)-9H-carbazole

C40H48N2 — CID 134849766

IUPAC3,6-ditert-butyl-1-(3,6-ditert-butyl-9H-carbazol-1-yl)-9H-carbazole
SMILESCC(C)(C)c1ccc2[nH]c3c(-c4cc(C(C)(C)C)cc5c4[nH]c4ccc(C(C)(C)C)cc45)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C40H48N2/c1-37(2,3)23-13-15-33-27(17-23)29-19-25(39(7,8)9)21-31(35(29)41-33)32-22-26(40(10,11)12)20-30-28-18-24(38(4,5)6)14-16-34(28)42-36(30)32/h13-22,41-42H,1-12H3
InChIKeyGFHYPRVRJMGTQI-UHFFFAOYSA-N
MW556.84 g/mol
LogP11.81
Rot. Bonds1

About 3,6-ditert-butyl-1-(3,6-ditert-butyl-9H-carbazol-1-yl)-9H-carbazole

3,6-ditert-butyl-1-(3,6-ditert-butyl-9H-carbazol-1-yl)-9H-carbazole (PubChem CID 134849766) has the molecular formula C40H48N2 and a molecular weight of 556.84 g/mol. Its IUPAC name is 3,6-ditert-butyl-1-(3,6-ditert-butyl-9H-carbazol-1-yl)-9H-carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-1-(3,6-ditert-butyl-9H-carbazol-1-yl)-9H-carbazole
PubChem CID134849766
Molecular FormulaC40H48N2
Molecular Weight556.84 g/mol
Exact Mass556.38
IUPAC Name3,6-ditert-butyl-1-(3,6-ditert-butyl-9H-carbazol-1-yl)-9H-carbazole
SMILESCC(C)(C)c1ccc2[nH]c3c(-c4cc(C(C)(C)C)cc5c4[nH]c4ccc(C(C)(C)C)cc45)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C40H48N2/c1-37(2,3)23-13-15-33-27(17-23)29-19-25(39(7,8)9)21-31(35(29)41-33)32-22-26(40(10,11)12)20-30-28-18-24(38(4,5)6)14-16-34(28)42-36(30)32/h13-22,41-42H,1-12H3
InChIKeyGFHYPRVRJMGTQI-UHFFFAOYSA-N
XLogP11.81
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.84
LogP ≤ 511.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 3,6-ditert-butyl-1-(3,6-ditert-butyl-9H-carbazol-1-yl)-9H-carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carbazole
CID 6854
7H-Dibenzo(c,g)carbazole
CID 9134
2,3-diphenyl-1H-indole
CID 77020
5-(3-butylpyrrolidin-3-yl)-1H-indole
CID 25224941
3-tert-butyl-9H-carbazole
CID 12117342
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
3-Methylcarbazole
CID 20746
1-Methyl-carbazole
CID 23011
3-(1-Phenethyl-piperidin-4-yl)-2-phenyl-1H-indole
CID 10091189
5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix)
CID 44230732
2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperidin-4-yl)-1H-indole
CID 134329228
3-(trifluoromethyl)-9H-carbazole
CID 42611896

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-1-(3,6-ditert-butyl-9H-carbazol-1-yl)-9H-carbazole?
The IUPAC name of 3,6-ditert-butyl-1-(3,6-ditert-butyl-9H-carbazol-1-yl)-9H-carbazole (CID 134849766) is 3,6-ditert-butyl-1-(3,6-ditert-butyl-9H-carbazol-1-yl)-9H-carbazole.
What is the SMILES notation for 3,6-ditert-butyl-1-(3,6-ditert-butyl-9H-carbazol-1-yl)-9H-carbazole?
The canonical SMILES for 3,6-ditert-butyl-1-(3,6-ditert-butyl-9H-carbazol-1-yl)-9H-carbazole is CC(C)(C)c1ccc2[nH]c3c(-c4cc(C(C)(C)C)cc5c4[nH]c4ccc(C(C)(C)C)cc45)cc(C(C)(C)C)cc3c2c1.
What is the InChIKey of 3,6-ditert-butyl-1-(3,6-ditert-butyl-9H-carbazol-1-yl)-9H-carbazole?
The InChIKey is GFHYPRVRJMGTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48N2/c1-37(2,3)23-13-15-33-27(17-23)29-19-25(39(7,8)9)21-31(35(29)41-33)32-22-26(40(10,11)12)20-30-28-18-24(38(4,5)6)14-16-34(28)42-36(30)32/h13-22,41-42H,1-12H3.
What are the key properties of 3,6-ditert-butyl-1-(3,6-ditert-butyl-9H-carbazol-1-yl)-9H-carbazole?
3,6-ditert-butyl-1-(3,6-ditert-butyl-9H-carbazol-1-yl)-9H-carbazole has a molecular weight of 556.84 g/mol, XLogP of 11.81, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-1-(3,6-ditert-butyl-9H-carbazol-1-yl)-9H-carbazole is sourced from PubChem (CID 134849766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).