6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole

C36H28N4 — CID 139229709

IUPAC6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole
SMILESCC1(c2c[nH]c3ccccc23)c2[nH]c3ccccc3c2C(C)(c2c[nH]c3ccccc23)c2c1[nH]c1ccccc21
InChIInChI=1S/C36H28N4/c1-35(25-19-37-27-15-7-3-11-21(25)27)31-23-13-5-9-17-29(23)39-33(31)36(2,26-20-38-28-16-8-4-12-22(26)28)34-32(35)24-14-6-10-18-30(24)40-34/h3-20,37-40H,1-2H3
InChIKeyLZEGRWCPPFYZTF-UHFFFAOYSA-N
MW516.65 g/mol
LogP8.63
Rot. Bonds2

About 6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole

6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 139229709) has the molecular formula C36H28N4 and a molecular weight of 516.65 g/mol. Its IUPAC name is 6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID139229709
Molecular FormulaC36H28N4
Molecular Weight516.65 g/mol
Exact Mass516.23
IUPAC Name6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole
SMILESCC1(c2c[nH]c3ccccc23)c2[nH]c3ccccc3c2C(C)(c2c[nH]c3ccccc23)c2c1[nH]c1ccccc21
InChIInChI=1S/C36H28N4/c1-35(25-19-37-27-15-7-3-11-21(25)27)31-23-13-5-9-17-29(23)39-33(31)36(2,26-20-38-28-16-8-4-12-22(26)28)34-32(35)24-14-6-10-18-30(24)40-34/h3-20,37-40H,1-2H3
InChIKeyLZEGRWCPPFYZTF-UHFFFAOYSA-N
XLogP8.63
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 58.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

3,3'-Diindolylmethane
CID 3071
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix)
CID 44230732
3-Indolecarboxylaldehyde, azine
CID 135400613
6-(3-benzylpyrrolidin-3-yl)-1H-indole
CID 44231009
3-((1H-Indol-2-yl)methyl)-1H-indole
CID 10900930
1,1,1-Tris(3-indolyl)methane
CID 254323
Vibrindole A
CID 6452189
1,4-Bis(3-indolyl)-2,3-diaza-1,3-butadiene
CID 14692
5-(3-phenethylpyrrolidin-3-yl)-1H-indole
CID 44230875
3-(3-benzylpyrrolidin-3-yl)-1H-indole
CID 44589201
1,7-Bis-(1H-indol-5-yl)-isoquinoline
CID 53379481

Frequently Asked Questions

What is the IUPAC name of 6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole (CID 139229709) is 6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole is CC1(c2c[nH]c3ccccc23)c2[nH]c3ccccc3c2C(C)(c2c[nH]c3ccccc23)c2c1[nH]c1ccccc21.
What is the InChIKey of 6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is LZEGRWCPPFYZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N4/c1-35(25-19-37-27-15-7-3-11-21(25)27)31-23-13-5-9-17-29(23)39-33(31)36(2,26-20-38-28-16-8-4-12-22(26)28)34-32(35)24-14-6-10-18-30(24)40-34/h3-20,37-40H,1-2H3.
What are the key properties of 6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole?
6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 516.65 g/mol, XLogP of 8.63, 2 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 139229709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).