1,2,3,4,5,6,7,8,9,21,22,23-dodecahydroporphyrin

C20H24N4 — CID 66595308

IUPAC1,2,3,4,5,6,7,8,9,21,22,23-dodecahydroporphyrin
SMILESC1=CC2=NC1=CC1CCC(CC3CCC(C=c4ccc([nH]4)=C2)N3)N1
InChIInChI=1S/C20H24N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-4,9-11,16,18-21,23-24H,5-8,12H2
InChIKeyYNQSADURTQDKPO-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.12
Rot. Bonds

About 1,2,3,4,5,6,7,8,9,21,22,23-dodecahydroporphyrin

1,2,3,4,5,6,7,8,9,21,22,23-dodecahydroporphyrin (PubChem CID 66595308) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,9,21,22,23-dodecahydroporphyrin.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8,9,21,22,23-dodecahydroporphyrin
PubChem CID66595308
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name1,2,3,4,5,6,7,8,9,21,22,23-dodecahydroporphyrin
SMILESC1=CC2=NC1=CC1CCC(CC3CCC(C=c4ccc([nH]4)=C2)N3)N1
InChIInChI=1S/C20H24N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-4,9-11,16,18-21,23-24H,5-8,12H2
InChIKeyYNQSADURTQDKPO-UHFFFAOYSA-N
XLogP1.12
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8,9,21,22,23-dodecahydroporphyrin?
The IUPAC name of 1,2,3,4,5,6,7,8,9,21,22,23-dodecahydroporphyrin (CID 66595308) is 1,2,3,4,5,6,7,8,9,21,22,23-dodecahydroporphyrin.
What is the SMILES notation for 1,2,3,4,5,6,7,8,9,21,22,23-dodecahydroporphyrin?
The canonical SMILES for 1,2,3,4,5,6,7,8,9,21,22,23-dodecahydroporphyrin is C1=CC2=NC1=CC1CCC(CC3CCC(C=c4ccc([nH]4)=C2)N3)N1.
What is the InChIKey of 1,2,3,4,5,6,7,8,9,21,22,23-dodecahydroporphyrin?
The InChIKey is YNQSADURTQDKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-4,9-11,16,18-21,23-24H,5-8,12H2.
What are the key properties of 1,2,3,4,5,6,7,8,9,21,22,23-dodecahydroporphyrin?
1,2,3,4,5,6,7,8,9,21,22,23-dodecahydroporphyrin has a molecular weight of 320.44 g/mol, XLogP of 1.12, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8,9,21,22,23-dodecahydroporphyrin is sourced from PubChem (CID 66595308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).