22,23-dihydro-21H-corrin

C19H14N4 — CID 6857582

IUPAC22,23-dihydro-21H-corrin
SMILESC1=Cc2nc1cc1ccc(cc3ccc(cc4ccc2[nH]4)[nH]3)[nH]1
InChIInChI=1S/C19H14N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h1-11,20-22H/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,19-18-
InChIKeyLYNARWYQOUZXDY-MXCYJBDUSA-N
MW298.35 g/mol
LogP4.70
Rot. Bonds

About 22,23-dihydro-21H-corrin

22,23-dihydro-21H-corrin (PubChem CID 6857582) has the molecular formula C19H14N4 and a molecular weight of 298.35 g/mol. Its IUPAC name is 22,23-dihydro-21H-corrin.

Molecular Properties

Compound Name22,23-dihydro-21H-corrin
PubChem CID6857582
Molecular FormulaC19H14N4
Molecular Weight298.35 g/mol
Exact Mass298.12
IUPAC Name22,23-dihydro-21H-corrin
SMILESC1=Cc2nc1cc1ccc(cc3ccc(cc4ccc2[nH]4)[nH]3)[nH]1
InChIInChI=1S/C19H14N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h1-11,20-22H/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,19-18-
InChIKeyLYNARWYQOUZXDY-MXCYJBDUSA-N
XLogP4.70
TPSA60.26 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 22,23-dihydro-21H-corrin?
The IUPAC name of 22,23-dihydro-21H-corrin (CID 6857582) is 22,23-dihydro-21H-corrin.
What is the SMILES notation for 22,23-dihydro-21H-corrin?
The canonical SMILES for 22,23-dihydro-21H-corrin is C1=Cc2nc1cc1ccc(cc3ccc(cc4ccc2[nH]4)[nH]3)[nH]1.
What is the InChIKey of 22,23-dihydro-21H-corrin?
The InChIKey is LYNARWYQOUZXDY-MXCYJBDUSA-N. The full InChI is InChI=1S/C19H14N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h1-11,20-22H/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,19-18-.
What are the key properties of 22,23-dihydro-21H-corrin?
22,23-dihydro-21H-corrin has a molecular weight of 298.35 g/mol, XLogP of 4.70, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 22,23-dihydro-21H-corrin is sourced from PubChem (CID 6857582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).