6-(2-methyl-1H-indol-3-yl)-7-phenyl-5,12-dihydroindolo[3,2-c]carbazole

C33H23N3 — CID 72736641

IUPAC6-(2-methyl-1H-indol-3-yl)-7-phenyl-5,12-dihydroindolo[3,2-c]carbazole
SMILESCc1[nH]c2ccccc2c1-c1c(-c2ccccc2)c2c3ccccc3[nH]c2c2c1[nH]c1ccccc12
InChIInChI=1S/C33H23N3/c1-19-27(21-13-5-8-16-24(21)34-19)31-28(20-11-3-2-4-12-20)29-22-14-6-9-17-25(22)35-32(29)30-23-15-7-10-18-26(23)36-33(30)31/h2-18,34-36H,1H3
InChIKeyBOLLEUWGFZSEOD-UHFFFAOYSA-N
MW461.57 g/mol
LogP9.08
Rot. Bonds2

About 6-(2-methyl-1H-indol-3-yl)-7-phenyl-5,12-dihydroindolo[3,2-c]carbazole

6-(2-methyl-1H-indol-3-yl)-7-phenyl-5,12-dihydroindolo[3,2-c]carbazole (PubChem CID 72736641) has the molecular formula C33H23N3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 6-(2-methyl-1H-indol-3-yl)-7-phenyl-5,12-dihydroindolo[3,2-c]carbazole.

Molecular Properties

Compound Name6-(2-methyl-1H-indol-3-yl)-7-phenyl-5,12-dihydroindolo[3,2-c]carbazole
PubChem CID72736641
Molecular FormulaC33H23N3
Molecular Weight461.57 g/mol
Exact Mass461.19
IUPAC Name6-(2-methyl-1H-indol-3-yl)-7-phenyl-5,12-dihydroindolo[3,2-c]carbazole
SMILESCc1[nH]c2ccccc2c1-c1c(-c2ccccc2)c2c3ccccc3[nH]c2c2c1[nH]c1ccccc12
InChIInChI=1S/C33H23N3/c1-19-27(21-13-5-8-16-24(21)34-19)31-28(20-11-3-2-4-12-20)29-22-14-6-9-17-25(22)35-32(29)30-23-15-7-10-18-26(23)36-33(30)31/h2-18,34-36H,1H3
InChIKeyBOLLEUWGFZSEOD-UHFFFAOYSA-N
XLogP9.08
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 59.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1H-indol-3-yl)-7-phenyl-5,12-dihydroindolo[3,2-c]carbazole?
The IUPAC name of 6-(2-methyl-1H-indol-3-yl)-7-phenyl-5,12-dihydroindolo[3,2-c]carbazole (CID 72736641) is 6-(2-methyl-1H-indol-3-yl)-7-phenyl-5,12-dihydroindolo[3,2-c]carbazole.
What is the SMILES notation for 6-(2-methyl-1H-indol-3-yl)-7-phenyl-5,12-dihydroindolo[3,2-c]carbazole?
The canonical SMILES for 6-(2-methyl-1H-indol-3-yl)-7-phenyl-5,12-dihydroindolo[3,2-c]carbazole is Cc1[nH]c2ccccc2c1-c1c(-c2ccccc2)c2c3ccccc3[nH]c2c2c1[nH]c1ccccc12.
What is the InChIKey of 6-(2-methyl-1H-indol-3-yl)-7-phenyl-5,12-dihydroindolo[3,2-c]carbazole?
The InChIKey is BOLLEUWGFZSEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3/c1-19-27(21-13-5-8-16-24(21)34-19)31-28(20-11-3-2-4-12-20)29-22-14-6-9-17-25(22)35-32(29)30-23-15-7-10-18-26(23)36-33(30)31/h2-18,34-36H,1H3.
What are the key properties of 6-(2-methyl-1H-indol-3-yl)-7-phenyl-5,12-dihydroindolo[3,2-c]carbazole?
6-(2-methyl-1H-indol-3-yl)-7-phenyl-5,12-dihydroindolo[3,2-c]carbazole has a molecular weight of 461.57 g/mol, XLogP of 9.08, 2 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1H-indol-3-yl)-7-phenyl-5,12-dihydroindolo[3,2-c]carbazole is sourced from PubChem (CID 72736641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).