1-(21,22-dihydroporphyrin-2-yl)naphthalen-2-ol

C30H20N4O — CID 161017382

IUPAC1-(21,22-dihydroporphyrin-2-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1cc2cc3ccc(cc4nc(cc5nc(cc1[nH]2)C=C5)C=C4)[nH]3
InChIInChI=1S/C30H20N4O/c35-29-12-5-18-3-1-2-4-26(18)30(29)27-16-25-15-23-9-8-21(32-23)13-19-6-7-20(31-19)14-22-10-11-24(33-22)17-28(27)34-25/h1-17,32,34-35H/b19-13-,20-14-,21-13-,22-14-,23-15-,24-17-,25-15-,28-17-
InChIKeyAXEWKYVKQFUAOM-YGKYYQRHSA-N
MW452.52 g/mol
LogP7.18
Rot. Bonds1

About 1-(21,22-dihydroporphyrin-2-yl)naphthalen-2-ol

1-(21,22-dihydroporphyrin-2-yl)naphthalen-2-ol (PubChem CID 161017382) has the molecular formula C30H20N4O and a molecular weight of 452.52 g/mol. Its IUPAC name is 1-(21,22-dihydroporphyrin-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(21,22-dihydroporphyrin-2-yl)naphthalen-2-ol
PubChem CID161017382
Molecular FormulaC30H20N4O
Molecular Weight452.52 g/mol
Exact Mass452.16
IUPAC Name1-(21,22-dihydroporphyrin-2-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1cc2cc3ccc(cc4nc(cc5nc(cc1[nH]2)C=C5)C=C4)[nH]3
InChIInChI=1S/C30H20N4O/c35-29-12-5-18-3-1-2-4-26(18)30(29)27-16-25-15-23-9-8-21(32-23)13-19-6-7-20(31-19)14-22-10-11-24(33-22)17-28(27)34-25/h1-17,32,34-35H/b19-13-,20-14-,21-13-,22-14-,23-15-,24-17-,25-15-,28-17-
InChIKeyAXEWKYVKQFUAOM-YGKYYQRHSA-N
XLogP7.18
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.52
LogP ≤ 57.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175757831
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CID 88628527
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Frequently Asked Questions

What is the IUPAC name of 1-(21,22-dihydroporphyrin-2-yl)naphthalen-2-ol?
The IUPAC name of 1-(21,22-dihydroporphyrin-2-yl)naphthalen-2-ol (CID 161017382) is 1-(21,22-dihydroporphyrin-2-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(21,22-dihydroporphyrin-2-yl)naphthalen-2-ol?
The canonical SMILES for 1-(21,22-dihydroporphyrin-2-yl)naphthalen-2-ol is Oc1ccc2ccccc2c1-c1cc2cc3ccc(cc4nc(cc5nc(cc1[nH]2)C=C5)C=C4)[nH]3.
What is the InChIKey of 1-(21,22-dihydroporphyrin-2-yl)naphthalen-2-ol?
The InChIKey is AXEWKYVKQFUAOM-YGKYYQRHSA-N. The full InChI is InChI=1S/C30H20N4O/c35-29-12-5-18-3-1-2-4-26(18)30(29)27-16-25-15-23-9-8-21(32-23)13-19-6-7-20(31-19)14-22-10-11-24(33-22)17-28(27)34-25/h1-17,32,34-35H/b19-13-,20-14-,21-13-,22-14-,23-15-,24-17-,25-15-,28-17-.
What are the key properties of 1-(21,22-dihydroporphyrin-2-yl)naphthalen-2-ol?
1-(21,22-dihydroporphyrin-2-yl)naphthalen-2-ol has a molecular weight of 452.52 g/mol, XLogP of 7.18, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(21,22-dihydroporphyrin-2-yl)naphthalen-2-ol is sourced from PubChem (CID 161017382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).