2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol

C46H36N4O — CID 123266108

IUPAC2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol
SMILESOCCc1cccc(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)c1
InChIInChI=1S/C46H36N4O/c51-28-27-30-11-10-18-34(29-30)46-41-25-23-39(49-41)44(32-14-6-2-7-15-32)37-21-19-35(47-37)43(31-12-4-1-5-13-31)36-20-22-38(48-36)45(33-16-8-3-9-17-33)40-24-26-42(46)50-40/h1-26,29,47-51H,27-28H2
InChIKeySZBFCGBXVQJRAZ-UHFFFAOYSA-N
MW660.82 g/mol
LogP5.84
Rot. Bonds6

About 2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol

2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol (PubChem CID 123266108) has the molecular formula C46H36N4O and a molecular weight of 660.82 g/mol. Its IUPAC name is 2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol
PubChem CID123266108
Molecular FormulaC46H36N4O
Molecular Weight660.82 g/mol
Exact Mass660.29
IUPAC Name2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol
SMILESOCCc1cccc(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)c1
InChIInChI=1S/C46H36N4O/c51-28-27-30-11-10-18-34(29-30)46-41-25-23-39(49-41)44(32-14-6-2-7-15-32)37-21-19-35(47-37)43(31-12-4-1-5-13-31)36-20-22-38(48-36)45(33-16-8-3-9-17-33)40-24-26-42(46)50-40/h1-26,29,47-51H,27-28H2
InChIKeySZBFCGBXVQJRAZ-UHFFFAOYSA-N
XLogP5.84
TPSA83.39 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 55.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 101

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Related Compounds

iron(3+);5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin;trichloride
CID 159454747
5-[3-(2-hydroxyethyl)phenyl]-1H-pyrrole-2-carboxylic acid
CID 168510098
2,7,12,17-tetraphenyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11,13,15,17,19-decaene
CID 91265450
5-(4-ethynylphenyl)-10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin
CID 123167588
3-[3-(2-hydroxyethyl)phenyl]phenol
CID 11413238
2-[[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzoyl]amino]acetic acid
CID 123167281
2-(3-pyrimidin-2-ylphenyl)ethanol
CID 142687410
2-[3-(5-phenylpentyl)phenyl]ethanol
CID 19755656
5-(3-phenylphenyl)pentan-1-ol
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2-(3-iodophenyl)ethanol
CID 15169850
5-(4-methylphenyl)-10-phenyl-15,20-dipyridin-3-yl-21,22,23,24-tetrahydroporphyrin
CID 90850065
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CID 20580073

Frequently Asked Questions

What is the IUPAC name of 2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol?
The IUPAC name of 2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol (CID 123266108) is 2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol.
What is the SMILES notation for 2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol?
The canonical SMILES for 2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol is OCCc1cccc(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)c1.
What is the InChIKey of 2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol?
The InChIKey is SZBFCGBXVQJRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N4O/c51-28-27-30-11-10-18-34(29-30)46-41-25-23-39(49-41)44(32-14-6-2-7-15-32)37-21-19-35(47-37)43(31-12-4-1-5-13-31)36-20-22-38(48-36)45(33-16-8-3-9-17-33)40-24-26-42(46)50-40/h1-26,29,47-51H,27-28H2.
What are the key properties of 2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol?
2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol has a molecular weight of 660.82 g/mol, XLogP of 5.84, 6 rotatable bonds, 5 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol is sourced from PubChem (CID 123266108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).