5,6-dideuterio-11,12-dihydroindolo[2,3-a]carbazole

C18H12N2 — CID 172776926

IUPAC5,6-dideuterio-11,12-dihydroindolo[2,3-a]carbazole
SMILES[2H]c1c([2H])c2c3ccccc3[nH]c2c2[nH]c3ccccc3c12
InChIInChI=1S/C18H12N2/c1-3-7-15-11(5-1)13-9-10-14-12-6-2-4-8-16(12)20-18(14)17(13)19-15/h1-10,19-20H/i9D,10D
InChIKeyNSNKTSSANPWFJA-QDRJLNDYSA-N
MW258.32 g/mol
LogP4.96
Rot. Bonds

About 5,6-dideuterio-11,12-dihydroindolo[2,3-a]carbazole

5,6-dideuterio-11,12-dihydroindolo[2,3-a]carbazole (PubChem CID 172776926) has the molecular formula C18H12N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5,6-dideuterio-11,12-dihydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name5,6-dideuterio-11,12-dihydroindolo[2,3-a]carbazole
PubChem CID172776926
Molecular FormulaC18H12N2
Molecular Weight258.32 g/mol
Exact Mass258.11
IUPAC Name5,6-dideuterio-11,12-dihydroindolo[2,3-a]carbazole
SMILES[2H]c1c([2H])c2c3ccccc3[nH]c2c2[nH]c3ccccc3c12
InChIInChI=1S/C18H12N2/c1-3-7-15-11(5-1)13-9-10-14-12-6-2-4-8-16(12)20-18(14)17(13)19-15/h1-10,19-20H/i9D,10D
InChIKeyNSNKTSSANPWFJA-QDRJLNDYSA-N
XLogP4.96
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

1,3,5,6,8,10-hexadeuterio-11,12-dihydroindolo[2,3-a]carbazole
CID 168770692
5,10-dihydroindolo[3,2-b]indole;molecular hydrogen
CID 145382713
9H-carbazole
CID 66668984
3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole
CID 162640414
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
1,2,3-trideuterio-9H-carbazole
CID 175863315
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 102175677
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
bromomethane;9H-carbazole
CID 67594562

Frequently Asked Questions

What is the IUPAC name of 5,6-dideuterio-11,12-dihydroindolo[2,3-a]carbazole?
The IUPAC name of 5,6-dideuterio-11,12-dihydroindolo[2,3-a]carbazole (CID 172776926) is 5,6-dideuterio-11,12-dihydroindolo[2,3-a]carbazole.
What is the SMILES notation for 5,6-dideuterio-11,12-dihydroindolo[2,3-a]carbazole?
The canonical SMILES for 5,6-dideuterio-11,12-dihydroindolo[2,3-a]carbazole is [2H]c1c([2H])c2c3ccccc3[nH]c2c2[nH]c3ccccc3c12.
What is the InChIKey of 5,6-dideuterio-11,12-dihydroindolo[2,3-a]carbazole?
The InChIKey is NSNKTSSANPWFJA-QDRJLNDYSA-N. The full InChI is InChI=1S/C18H12N2/c1-3-7-15-11(5-1)13-9-10-14-12-6-2-4-8-16(12)20-18(14)17(13)19-15/h1-10,19-20H/i9D,10D.
What are the key properties of 5,6-dideuterio-11,12-dihydroindolo[2,3-a]carbazole?
5,6-dideuterio-11,12-dihydroindolo[2,3-a]carbazole has a molecular weight of 258.32 g/mol, XLogP of 4.96, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dideuterio-11,12-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 172776926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).