4-[10,20-bis(4-hydroxyphenyl)-15-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin-5-yl]phenol

C43H31N5O3 — CID 135985043

IUPAC4-[10,20-bis(4-hydroxyphenyl)-15-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
SMILESOc1ccc(C2=c3ccc([nH]3)=C(c3ccncc3)c3ccc([nH]3)C(c3ccc(O)cc3)=c3ccc([nH]3)=C(c3ccc(O)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C43H31N5O3/c49-29-7-1-25(2-8-29)40-32-13-15-34(45-32)41(26-3-9-30(50)10-4-26)36-17-19-38(47-36)43(28-21-23-44-24-22-28)39-20-18-37(48-39)42(35-16-14-33(40)46-35)27-5-11-31(51)12-6-27/h1-24,45-51H
InChIKeyYUNZYYGYVUCOKR-UHFFFAOYSA-N
MW665.75 g/mol
LogP4.81
Rot. Bonds4

About 4-[10,20-bis(4-hydroxyphenyl)-15-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin-5-yl]phenol

4-[10,20-bis(4-hydroxyphenyl)-15-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin-5-yl]phenol (PubChem CID 135985043) has the molecular formula C43H31N5O3 and a molecular weight of 665.75 g/mol. Its IUPAC name is 4-[10,20-bis(4-hydroxyphenyl)-15-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin-5-yl]phenol.

Molecular Properties

Compound Name4-[10,20-bis(4-hydroxyphenyl)-15-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
PubChem CID135985043
Molecular FormulaC43H31N5O3
Molecular Weight665.75 g/mol
Exact Mass665.24
IUPAC Name4-[10,20-bis(4-hydroxyphenyl)-15-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
SMILESOc1ccc(C2=c3ccc([nH]3)=C(c3ccncc3)c3ccc([nH]3)C(c3ccc(O)cc3)=c3ccc([nH]3)=C(c3ccc(O)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C43H31N5O3/c49-29-7-1-25(2-8-29)40-32-13-15-34(45-32)41(26-3-9-30(50)10-4-26)36-17-19-38(47-36)43(28-21-23-44-24-22-28)39-20-18-37(48-39)42(35-16-14-33(40)46-35)27-5-11-31(51)12-6-27/h1-24,45-51H
InChIKeyYUNZYYGYVUCOKR-UHFFFAOYSA-N
XLogP4.81
TPSA136.74 Ų
H-Bond Donors7
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.75
LogP ≤ 54.81
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 104

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Related Compounds

5,10,15,20-Tetrakis(4-hydroxyphenyl)porphyrin
CID 135438030
4-(10,15,20-Triphenylporphyrin-5-yl)phenol
CID 135524769
DIM-C-pPhOH
CID 2940609
4-[5-(1H-indol-2-yl)-3-pyridinyl]phenol
CID 44585327
2-[5-(5-hydroxy-1H-indol-2-yl)-3-pyridinyl]-1H-indol-5-ol
CID 44585333
4-[15-(4-Hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 135409863
4-[bis(1H-indol-3-yl)methyl]benzene-1,2-diol
CID 2923760
3-[1-[9-[4-(5-hydroxy-1H-indol-3-yl)piperidin-1-yl]nonyl]piperidin-4-yl]-1H-indol-5-ol
CID 44533102
4-(3-{[2-(1H-indol-3-yl)ethyl]amino}-1-phenylpropyl)phenol
CID 45488956
2-[5-(4-hydroxyphenyl)-3-pyridinyl]-1H-indol-6-ol
CID 56839382
3-[[6-[bis(5-hydroxy-1H-indol-3-yl)methyl]-3-pyridinyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 127034772
4-[5-(1-Methyl-piperidin-4-yl)-3-pyridin-4-yl-1H-pyrrol-2-yl]-phenol
CID 135964363

Frequently Asked Questions

What is the IUPAC name of 4-[10,20-bis(4-hydroxyphenyl)-15-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin-5-yl]phenol?
The IUPAC name of 4-[10,20-bis(4-hydroxyphenyl)-15-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin-5-yl]phenol (CID 135985043) is 4-[10,20-bis(4-hydroxyphenyl)-15-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin-5-yl]phenol.
What is the SMILES notation for 4-[10,20-bis(4-hydroxyphenyl)-15-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin-5-yl]phenol?
The canonical SMILES for 4-[10,20-bis(4-hydroxyphenyl)-15-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin-5-yl]phenol is Oc1ccc(C2=c3ccc([nH]3)=C(c3ccncc3)c3ccc([nH]3)C(c3ccc(O)cc3)=c3ccc([nH]3)=C(c3ccc(O)cc3)c3ccc2[nH]3)cc1.
What is the InChIKey of 4-[10,20-bis(4-hydroxyphenyl)-15-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin-5-yl]phenol?
The InChIKey is YUNZYYGYVUCOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N5O3/c49-29-7-1-25(2-8-29)40-32-13-15-34(45-32)41(26-3-9-30(50)10-4-26)36-17-19-38(47-36)43(28-21-23-44-24-22-28)39-20-18-37(48-39)42(35-16-14-33(40)46-35)27-5-11-31(51)12-6-27/h1-24,45-51H.
What are the key properties of 4-[10,20-bis(4-hydroxyphenyl)-15-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin-5-yl]phenol?
4-[10,20-bis(4-hydroxyphenyl)-15-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin-5-yl]phenol has a molecular weight of 665.75 g/mol, XLogP of 4.81, 4 rotatable bonds, 7 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10,20-bis(4-hydroxyphenyl)-15-pyridin-4-yl-21,22,23,24-tetrahydroporphyrin-5-yl]phenol is sourced from PubChem (CID 135985043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).