4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol

C47H38N4O — CID 90723252

IUPAC4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
SMILESCc1ccc(C2=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C47H38N4O/c1-28-4-10-31(11-5-28)44-36-20-22-38(48-36)45(32-12-6-29(2)7-13-32)40-24-26-42(50-40)47(34-16-18-35(52)19-17-34)43-27-25-41(51-43)46(39-23-21-37(44)49-39)33-14-8-30(3)9-15-33/h4-27,48-52H,1-3H3
InChIKeyWLXXHZIEQNBFIU-UHFFFAOYSA-N
MW674.85 g/mol
LogP6.93
Rot. Bonds4

About 4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol

4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol (PubChem CID 90723252) has the molecular formula C47H38N4O and a molecular weight of 674.85 g/mol. Its IUPAC name is 4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol.

Molecular Properties

Compound Name4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
PubChem CID90723252
Molecular FormulaC47H38N4O
Molecular Weight674.85 g/mol
Exact Mass674.30
IUPAC Name4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
SMILESCc1ccc(C2=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C47H38N4O/c1-28-4-10-31(11-5-28)44-36-20-22-38(48-36)45(32-12-6-29(2)7-13-32)40-24-26-42(50-40)47(34-16-18-35(52)19-17-34)43-27-25-41(51-43)46(39-23-21-37(44)49-39)33-14-8-30(3)9-15-33/h4-27,48-52H,1-3H3
InChIKeyWLXXHZIEQNBFIU-UHFFFAOYSA-N
XLogP6.93
TPSA83.39 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.85
LogP ≤ 56.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 101

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Related Compounds

Temoporfin
CID 60751
4-(2-phenyl-1H-indol-3-yl)phenol
CID 13896065
5,10,15,20-Tetrakis(4-hydroxyphenyl)porphyrin
CID 135438030
4-(10,15,20-Triphenylporphyrin-5-yl)phenol
CID 135524769
4-[[5-[(5Z)-4-methoxy-5-[(5-methyl-4-pentyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-1H-pyrrol-2-yl]methyl]phenol
CID 25158709
3-[10,15,20-Tris(3-hydroxyphenyl)-21,24-dihydroporphyrin-5-yl]phenol
CID 122877
4-[4-[[2-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]ethyl]amino]butyl]phenol
CID 9979079
4-[15-(4-Hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 135409863
4-(15-Phenyl-21,23-dihydroporphyrin-5-yl)phenol
CID 135428027
3-(10,15,20-Triphenylporphyrin-5-yl)phenol
CID 135481457
4-(4-{2-[2-(3-Ethyl-phenyl)-1H-indol-3-yl]-ethylamino}-butyl)-phenol
CID 44365088
4-(4-{2-[2-(2,5-Dimethyl-phenyl)-1H-indol-3-yl]-ethylamino}-butyl)-phenol
CID 44365269

Frequently Asked Questions

What is the IUPAC name of 4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol?
The IUPAC name of 4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol (CID 90723252) is 4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol.
What is the SMILES notation for 4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol?
The canonical SMILES for 4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol is Cc1ccc(C2=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc2[nH]3)cc1.
What is the InChIKey of 4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol?
The InChIKey is WLXXHZIEQNBFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38N4O/c1-28-4-10-31(11-5-28)44-36-20-22-38(48-36)45(32-12-6-29(2)7-13-32)40-24-26-42(50-40)47(34-16-18-35(52)19-17-34)43-27-25-41(51-43)46(39-23-21-37(44)49-39)33-14-8-30(3)9-15-33/h4-27,48-52H,1-3H3.
What are the key properties of 4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol?
4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol has a molecular weight of 674.85 g/mol, XLogP of 6.93, 4 rotatable bonds, 5 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol is sourced from PubChem (CID 90723252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).