1,3,5,6,8,10-hexadeuterio-11,12-dihydroindolo[2,3-a]carbazole

C18H12N2 — CID 168770692

IUPAC1,3,5,6,8,10-hexadeuterio-11,12-dihydroindolo[2,3-a]carbazole
SMILES[2H]c1cc([2H])c2[nH]c3c4[nH]c5c([2H])cc([2H])cc5c4c([2H])c([2H])c3c2c1
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/i1D,2D,7D,8D,9D,10D
InChIKeyNSNKTSSANPWFJA-MWJWXFQUSA-N
MW262.34 g/mol
LogP4.96
Rot. Bonds

About 1,3,5,6,8,10-hexadeuterio-11,12-dihydroindolo[2,3-a]carbazole

1,3,5,6,8,10-hexadeuterio-11,12-dihydroindolo[2,3-a]carbazole (PubChem CID 168770692) has the molecular formula C18H12N2 and a molecular weight of 262.34 g/mol. Its IUPAC name is 1,3,5,6,8,10-hexadeuterio-11,12-dihydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name1,3,5,6,8,10-hexadeuterio-11,12-dihydroindolo[2,3-a]carbazole
PubChem CID168770692
Molecular FormulaC18H12N2
Molecular Weight262.34 g/mol
Exact Mass262.14
IUPAC Name1,3,5,6,8,10-hexadeuterio-11,12-dihydroindolo[2,3-a]carbazole
SMILES[2H]c1cc([2H])c2[nH]c3c4[nH]c5c([2H])cc([2H])cc5c4c([2H])c([2H])c3c2c1
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/i1D,2D,7D,8D,9D,10D
InChIKeyNSNKTSSANPWFJA-MWJWXFQUSA-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 ≤ 500262.34
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,6,8,10-hexadeuterio-11,12-dihydroindolo[2,3-a]carbazole?
The IUPAC name of 1,3,5,6,8,10-hexadeuterio-11,12-dihydroindolo[2,3-a]carbazole (CID 168770692) is 1,3,5,6,8,10-hexadeuterio-11,12-dihydroindolo[2,3-a]carbazole.
What is the SMILES notation for 1,3,5,6,8,10-hexadeuterio-11,12-dihydroindolo[2,3-a]carbazole?
The canonical SMILES for 1,3,5,6,8,10-hexadeuterio-11,12-dihydroindolo[2,3-a]carbazole is [2H]c1cc([2H])c2[nH]c3c4[nH]c5c([2H])cc([2H])cc5c4c([2H])c([2H])c3c2c1.
What is the InChIKey of 1,3,5,6,8,10-hexadeuterio-11,12-dihydroindolo[2,3-a]carbazole?
The InChIKey is NSNKTSSANPWFJA-MWJWXFQUSA-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/i1D,2D,7D,8D,9D,10D.
What are the key properties of 1,3,5,6,8,10-hexadeuterio-11,12-dihydroindolo[2,3-a]carbazole?
1,3,5,6,8,10-hexadeuterio-11,12-dihydroindolo[2,3-a]carbazole has a molecular weight of 262.34 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 1,3,5,6,8,10-hexadeuterio-11,12-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 168770692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).