2,3,7,8,23,24-hexahydroporphyrin

C20H18N4 — CID 18725796

IUPAC2,3,7,8,23,24-hexahydroporphyrin
SMILESc1c2nc(cc3ccc(cc4ccc(cc5nc1CC5)[nH]4)[nH]3)CC2
InChIInChI=1S/C20H18N4/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/h1-4,9-12,21-22H,5-8H2/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-
InChIKeyBMMKBVLOIDKBCY-CEVVSZFKSA-N
MW314.39 g/mol
LogP3.89
Rot. Bonds

About 2,3,7,8,23,24-hexahydroporphyrin

2,3,7,8,23,24-hexahydroporphyrin (PubChem CID 18725796) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2,3,7,8,23,24-hexahydroporphyrin.

Molecular Properties

Compound Name2,3,7,8,23,24-hexahydroporphyrin
PubChem CID18725796
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name2,3,7,8,23,24-hexahydroporphyrin
SMILESc1c2nc(cc3ccc(cc4ccc(cc5nc1CC5)[nH]4)[nH]3)CC2
InChIInChI=1S/C20H18N4/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/h1-4,9-12,21-22H,5-8H2/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-
InChIKeyBMMKBVLOIDKBCY-CEVVSZFKSA-N
XLogP3.89
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,7,8,23,24-hexahydroporphyrin?
The IUPAC name of 2,3,7,8,23,24-hexahydroporphyrin (CID 18725796) is 2,3,7,8,23,24-hexahydroporphyrin.
What is the SMILES notation for 2,3,7,8,23,24-hexahydroporphyrin?
The canonical SMILES for 2,3,7,8,23,24-hexahydroporphyrin is c1c2nc(cc3ccc(cc4ccc(cc5nc1CC5)[nH]4)[nH]3)CC2.
What is the InChIKey of 2,3,7,8,23,24-hexahydroporphyrin?
The InChIKey is BMMKBVLOIDKBCY-CEVVSZFKSA-N. The full InChI is InChI=1S/C20H18N4/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/h1-4,9-12,21-22H,5-8H2/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-.
What are the key properties of 2,3,7,8,23,24-hexahydroporphyrin?
2,3,7,8,23,24-hexahydroporphyrin has a molecular weight of 314.39 g/mol, XLogP of 3.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8,23,24-hexahydroporphyrin is sourced from PubChem (CID 18725796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).