(2S,3R)-5,15-diphenyl-2,3,22,24-tetrahydroporphyrin-2,3-diol

C32H24N4O2 — CID 102292008

IUPAC(2S,3R)-5,15-diphenyl-2,3,22,24-tetrahydroporphyrin-2,3-diol
SMILESO[C@@H]1c2nc(cc3ccc([nH]3)c(-c3ccccc3)c3nc(cc4ccc([nH]4)c2-c2ccccc2)C=C3)[C@@H]1O
InChIInChI=1S/C32H24N4O2/c37-31-27-18-23-13-15-25(35-23)28(19-7-3-1-4-8-19)24-14-11-21(33-24)17-22-12-16-26(34-22)29(30(36-27)32(31)38)20-9-5-2-6-10-20/h1-18,31-32,34-35,37-38H/b21-17-,22-17-,23-18-,27-18-,28-24-,28-25-,29-26-,30-29-/t31-,32+/m0/s1
InChIKeyVXPKIRNRBOAYIE-KXIUAUCHSA-N
MW496.57 g/mol
LogP6.59
Rot. Bonds2

About (2S,3R)-5,15-diphenyl-2,3,22,24-tetrahydroporphyrin-2,3-diol

(2S,3R)-5,15-diphenyl-2,3,22,24-tetrahydroporphyrin-2,3-diol (PubChem CID 102292008) has the molecular formula C32H24N4O2 and a molecular weight of 496.57 g/mol. Its IUPAC name is (2S,3R)-5,15-diphenyl-2,3,22,24-tetrahydroporphyrin-2,3-diol.

Molecular Properties

Compound Name(2S,3R)-5,15-diphenyl-2,3,22,24-tetrahydroporphyrin-2,3-diol
PubChem CID102292008
Molecular FormulaC32H24N4O2
Molecular Weight496.57 g/mol
Exact Mass496.19
IUPAC Name(2S,3R)-5,15-diphenyl-2,3,22,24-tetrahydroporphyrin-2,3-diol
SMILESO[C@@H]1c2nc(cc3ccc([nH]3)c(-c3ccccc3)c3nc(cc4ccc([nH]4)c2-c2ccccc2)C=C3)[C@@H]1O
InChIInChI=1S/C32H24N4O2/c37-31-27-18-23-13-15-25(35-23)28(19-7-3-1-4-8-19)24-14-11-21(33-24)17-22-12-16-26(34-22)29(30(36-27)32(31)38)20-9-5-2-6-10-20/h1-18,31-32,34-35,37-38H/b21-17-,22-17-,23-18-,27-18-,28-24-,28-25-,29-26-,30-29-/t31-,32+/m0/s1
InChIKeyVXPKIRNRBOAYIE-KXIUAUCHSA-N
XLogP6.59
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 56.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
CID 101442381
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
2-(4-methoxyphenyl)-17-phenyl-21-thia-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,6(24),7,9,11,13(22),14,16,18-decaene-4,5-diol
CID 71222391
10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin
CID 173159582
10,20-diphenyl-21,23-dihydroporphyrin-5-amine
CID 136859118
5-[4-[4-(21,23-dihydroporphyrin-5-yl)phenyl]phenyl]-21,23-dihydroporphyrin
CID 136749783
10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde
CID 135415239
2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline
CID 141332730
5,20-bis[2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl]-10,15-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 56653500
2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane
CID 173327875
4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol
CID 151835088
3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 141240243

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5,15-diphenyl-2,3,22,24-tetrahydroporphyrin-2,3-diol?
The IUPAC name of (2S,3R)-5,15-diphenyl-2,3,22,24-tetrahydroporphyrin-2,3-diol (CID 102292008) is (2S,3R)-5,15-diphenyl-2,3,22,24-tetrahydroporphyrin-2,3-diol.
What is the SMILES notation for (2S,3R)-5,15-diphenyl-2,3,22,24-tetrahydroporphyrin-2,3-diol?
The canonical SMILES for (2S,3R)-5,15-diphenyl-2,3,22,24-tetrahydroporphyrin-2,3-diol is O[C@@H]1c2nc(cc3ccc([nH]3)c(-c3ccccc3)c3nc(cc4ccc([nH]4)c2-c2ccccc2)C=C3)[C@@H]1O.
What is the InChIKey of (2S,3R)-5,15-diphenyl-2,3,22,24-tetrahydroporphyrin-2,3-diol?
The InChIKey is VXPKIRNRBOAYIE-KXIUAUCHSA-N. The full InChI is InChI=1S/C32H24N4O2/c37-31-27-18-23-13-15-25(35-23)28(19-7-3-1-4-8-19)24-14-11-21(33-24)17-22-12-16-26(34-22)29(30(36-27)32(31)38)20-9-5-2-6-10-20/h1-18,31-32,34-35,37-38H/b21-17-,22-17-,23-18-,27-18-,28-24-,28-25-,29-26-,30-29-/t31-,32+/m0/s1.
What are the key properties of (2S,3R)-5,15-diphenyl-2,3,22,24-tetrahydroporphyrin-2,3-diol?
(2S,3R)-5,15-diphenyl-2,3,22,24-tetrahydroporphyrin-2,3-diol has a molecular weight of 496.57 g/mol, XLogP of 6.59, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5,15-diphenyl-2,3,22,24-tetrahydroporphyrin-2,3-diol is sourced from PubChem (CID 102292008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).