4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenol

C44H32N4O — CID 54235932

IUPAC4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenol
SMILESOc1ccc(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C44H32N4O/c49-32-18-16-31(17-19-32)44-39-26-24-37(47-39)42(29-12-6-2-7-13-29)35-22-20-33(45-35)41(28-10-4-1-5-11-28)34-21-23-36(46-34)43(30-14-8-3-9-15-30)38-25-27-40(44)48-38/h1-27,45-49H
InChIKeyLTTQKPOBKJUMRX-UHFFFAOYSA-N
MW632.77 g/mol
LogP6.01
Rot. Bonds4

About 4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenol

4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenol (PubChem CID 54235932) has the molecular formula C44H32N4O and a molecular weight of 632.77 g/mol. Its IUPAC name is 4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenol.

Molecular Properties

Compound Name4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenol
PubChem CID54235932
Molecular FormulaC44H32N4O
Molecular Weight632.77 g/mol
Exact Mass632.26
IUPAC Name4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenol
SMILESOc1ccc(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C44H32N4O/c49-32-18-16-31(17-19-32)44-39-26-24-37(47-39)42(29-12-6-2-7-13-29)35-22-20-33(45-35)41(28-10-4-1-5-11-28)34-21-23-36(46-34)43(30-14-8-3-9-15-30)38-25-27-40(44)48-38/h1-27,45-49H
InChIKeyLTTQKPOBKJUMRX-UHFFFAOYSA-N
XLogP6.01
TPSA83.39 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.77
LogP ≤ 56.01
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
4-(3-phenyl-1H-indol-2-yl)phenol
CID 44405867
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

Frequently Asked Questions

What is the IUPAC name of 4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenol?
The IUPAC name of 4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenol (CID 54235932) is 4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenol.
What is the SMILES notation for 4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenol?
The canonical SMILES for 4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenol is Oc1ccc(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)cc1.
What is the InChIKey of 4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenol?
The InChIKey is LTTQKPOBKJUMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N4O/c49-32-18-16-31(17-19-32)44-39-26-24-37(47-39)42(29-12-6-2-7-13-29)35-22-20-33(45-35)41(28-10-4-1-5-11-28)34-21-23-36(46-34)43(30-14-8-3-9-15-30)38-25-27-40(44)48-38/h1-27,45-49H.
What are the key properties of 4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenol?
4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenol has a molecular weight of 632.77 g/mol, XLogP of 6.01, 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-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenol is sourced from PubChem (CID 54235932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).