10-methoxy-15-phenyl-21,22-dihydroporphyrin

C27H20N4O — CID 68578434

IUPAC10-methoxy-15-phenyl-21,22-dihydroporphyrin
SMILESCOc1c2nc(c(-c3ccccc3)c3nc(cc4ccc(cc5ccc1[nH]5)[nH]4)C=C3)C=C2
InChIInChI=1S/C27H20N4O/c1-32-27-24-12-10-21(30-24)16-19-8-7-18(28-19)15-20-9-11-22(29-20)26(17-5-3-2-4-6-17)23-13-14-25(27)31-23/h2-16,28,30H,1H3/b18-15-,19-16-,20-15-,21-16-,26-22-,26-23-,27-24+,27-25+
InChIKeyKQZDPZBQJXAYGO-OKQFWJMGSA-N
MW416.48 g/mol
LogP6.33
Rot. Bonds2

About 10-methoxy-15-phenyl-21,22-dihydroporphyrin

10-methoxy-15-phenyl-21,22-dihydroporphyrin (PubChem CID 68578434) has the molecular formula C27H20N4O and a molecular weight of 416.48 g/mol. Its IUPAC name is 10-methoxy-15-phenyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name10-methoxy-15-phenyl-21,22-dihydroporphyrin
PubChem CID68578434
Molecular FormulaC27H20N4O
Molecular Weight416.48 g/mol
Exact Mass416.16
IUPAC Name10-methoxy-15-phenyl-21,22-dihydroporphyrin
SMILESCOc1c2nc(c(-c3ccccc3)c3nc(cc4ccc(cc5ccc1[nH]5)[nH]4)C=C3)C=C2
InChIInChI=1S/C27H20N4O/c1-32-27-24-12-10-21(30-24)16-19-8-7-18(28-19)15-20-9-11-22(29-20)26(17-5-3-2-4-6-17)23-13-14-25(27)31-23/h2-16,28,30H,1H3/b18-15-,19-16-,20-15-,21-16-,26-22-,26-23-,27-24+,27-25+
InChIKeyKQZDPZBQJXAYGO-OKQFWJMGSA-N
XLogP6.33
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-15-phenyl-21,22-dihydroporphyrin?
The IUPAC name of 10-methoxy-15-phenyl-21,22-dihydroporphyrin (CID 68578434) is 10-methoxy-15-phenyl-21,22-dihydroporphyrin.
What is the SMILES notation for 10-methoxy-15-phenyl-21,22-dihydroporphyrin?
The canonical SMILES for 10-methoxy-15-phenyl-21,22-dihydroporphyrin is COc1c2nc(c(-c3ccccc3)c3nc(cc4ccc(cc5ccc1[nH]5)[nH]4)C=C3)C=C2.
What is the InChIKey of 10-methoxy-15-phenyl-21,22-dihydroporphyrin?
The InChIKey is KQZDPZBQJXAYGO-OKQFWJMGSA-N. The full InChI is InChI=1S/C27H20N4O/c1-32-27-24-12-10-21(30-24)16-19-8-7-18(28-19)15-20-9-11-22(29-20)26(17-5-3-2-4-6-17)23-13-14-25(27)31-23/h2-16,28,30H,1H3/b18-15-,19-16-,20-15-,21-16-,26-22-,26-23-,27-24+,27-25+.
What are the key properties of 10-methoxy-15-phenyl-21,22-dihydroporphyrin?
10-methoxy-15-phenyl-21,22-dihydroporphyrin has a molecular weight of 416.48 g/mol, XLogP of 6.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-15-phenyl-21,22-dihydroporphyrin is sourced from PubChem (CID 68578434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).