[8-[15-[8-(hydroxymethyl)naphthalen-1-yl]-10,20-bis(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]naphthalen-1-yl]methanol

C56H42N4O2 — CID 10974819

IUPAC[8-[15-[8-(hydroxymethyl)naphthalen-1-yl]-10,20-bis(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]naphthalen-1-yl]methanol
SMILESCc1ccc(-c2c3nc(c(-c4cccc5cccc(CO)c45)c4ccc([nH]4)c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4cccc5cccc(CO)c45)c4nc2C=C4)C=C3)cc1
InChIInChI=1S/C56H42N4O2/c1-33-15-19-37(20-16-33)53-43-23-27-47(57-43)55(41-13-5-9-35-7-3-11-39(31-61)51(35)41)49-29-25-45(59-49)54(38-21-17-34(2)18-22-38)46-26-30-50(60-46)56(48-28-24-44(53)58-48)42-14-6-10-36-8-4-12-40(32-62)52(36)42/h3-30,57-58,61-62H,31-32H2,1-2H3/b53-43-,53-44-,54-45-,54-46-,55-47-,55-49-,56-48-,56-50-
InChIKeyQKHOLECOTMYCLX-YNJAONIJSA-N
MW802.98 g/mol
LogP13.23
Rot. Bonds6

About [8-[15-[8-(hydroxymethyl)naphthalen-1-yl]-10,20-bis(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]naphthalen-1-yl]methanol

[8-[15-[8-(hydroxymethyl)naphthalen-1-yl]-10,20-bis(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]naphthalen-1-yl]methanol (PubChem CID 10974819) has the molecular formula C56H42N4O2 and a molecular weight of 802.98 g/mol. Its IUPAC name is [8-[15-[8-(hydroxymethyl)naphthalen-1-yl]-10,20-bis(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[8-[15-[8-(hydroxymethyl)naphthalen-1-yl]-10,20-bis(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]naphthalen-1-yl]methanol
PubChem CID10974819
Molecular FormulaC56H42N4O2
Molecular Weight802.98 g/mol
Exact Mass802.33
IUPAC Name[8-[15-[8-(hydroxymethyl)naphthalen-1-yl]-10,20-bis(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]naphthalen-1-yl]methanol
SMILESCc1ccc(-c2c3nc(c(-c4cccc5cccc(CO)c45)c4ccc([nH]4)c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4cccc5cccc(CO)c45)c4nc2C=C4)C=C3)cc1
InChIInChI=1S/C56H42N4O2/c1-33-15-19-37(20-16-33)53-43-23-27-47(57-43)55(41-13-5-9-35-7-3-11-39(31-61)51(35)41)49-29-25-45(59-49)54(38-21-17-34(2)18-22-38)46-26-30-50(60-46)56(48-28-24-44(53)58-48)42-14-6-10-36-8-4-12-40(32-62)52(36)42/h3-30,57-58,61-62H,31-32H2,1-2H3/b53-43-,53-44-,54-45-,54-46-,55-47-,55-49-,56-48-,56-50-
InChIKeyQKHOLECOTMYCLX-YNJAONIJSA-N
XLogP13.23
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.98
LogP ≤ 513.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
[4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol
CID 135508187
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
4-methyl-N-(4-methylphenyl)-N-[4-[10,15,20-tris[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
CID 101169394
palladium(2+);tetrakis(5,10,20-tris(4-methylphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin)
CID 138402828
[2,3-bis(4-methylphenyl)phenyl]methanol
CID 67427826
[8-[8-(hydroxymethyl)naphthalen-1-yl]naphthalen-1-yl]methanol
CID 12507693
15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
CID 57355028
5-(9,10-dimethoxyphenanthren-1-yl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135443520
[2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine
CID 135409013
5-(4-methoxyphenyl)-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin
CID 135778239
1-(4-methylphenyl)-N-[4-[10,15,20-tris[4-[(4-methylphenyl)methylideneamino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanimine
CID 174359853

Frequently Asked Questions

What is the IUPAC name of [8-[15-[8-(hydroxymethyl)naphthalen-1-yl]-10,20-bis(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]naphthalen-1-yl]methanol?
The IUPAC name of [8-[15-[8-(hydroxymethyl)naphthalen-1-yl]-10,20-bis(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]naphthalen-1-yl]methanol (CID 10974819) is [8-[15-[8-(hydroxymethyl)naphthalen-1-yl]-10,20-bis(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]naphthalen-1-yl]methanol.
What is the SMILES notation for [8-[15-[8-(hydroxymethyl)naphthalen-1-yl]-10,20-bis(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]naphthalen-1-yl]methanol?
The canonical SMILES for [8-[15-[8-(hydroxymethyl)naphthalen-1-yl]-10,20-bis(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]naphthalen-1-yl]methanol is Cc1ccc(-c2c3nc(c(-c4cccc5cccc(CO)c45)c4ccc([nH]4)c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4cccc5cccc(CO)c45)c4nc2C=C4)C=C3)cc1.
What is the InChIKey of [8-[15-[8-(hydroxymethyl)naphthalen-1-yl]-10,20-bis(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]naphthalen-1-yl]methanol?
The InChIKey is QKHOLECOTMYCLX-YNJAONIJSA-N. The full InChI is InChI=1S/C56H42N4O2/c1-33-15-19-37(20-16-33)53-43-23-27-47(57-43)55(41-13-5-9-35-7-3-11-39(31-61)51(35)41)49-29-25-45(59-49)54(38-21-17-34(2)18-22-38)46-26-30-50(60-46)56(48-28-24-44(53)58-48)42-14-6-10-36-8-4-12-40(32-62)52(36)42/h3-30,57-58,61-62H,31-32H2,1-2H3/b53-43-,53-44-,54-45-,54-46-,55-47-,55-49-,56-48-,56-50-.
What are the key properties of [8-[15-[8-(hydroxymethyl)naphthalen-1-yl]-10,20-bis(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]naphthalen-1-yl]methanol?
[8-[15-[8-(hydroxymethyl)naphthalen-1-yl]-10,20-bis(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]naphthalen-1-yl]methanol has a molecular weight of 802.98 g/mol, XLogP of 13.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[15-[8-(hydroxymethyl)naphthalen-1-yl]-10,20-bis(4-methylphenyl)-21,24-dihydroporphyrin-5-yl]naphthalen-1-yl]methanol is sourced from PubChem (CID 10974819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).