1-[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol

C46H36N4O — CID 91295400

IUPAC1-[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol
SMILESCC(O)c1ccc(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C46H36N4O/c1-29(51)30-17-19-34(20-18-30)46-41-27-25-39(49-41)44(32-13-7-3-8-14-32)37-23-21-35(47-37)43(31-11-5-2-6-12-31)36-22-24-38(48-36)45(33-15-9-4-10-16-33)40-26-28-42(46)50-40/h2-29,47-51H,1H3
InChIKeyLZEDFSPPUUYQRW-UHFFFAOYSA-N
MW660.82 g/mol
LogP6.35
Rot. Bonds5

About 1-[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol

1-[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol (PubChem CID 91295400) has the molecular formula C46H36N4O and a molecular weight of 660.82 g/mol. Its IUPAC name is 1-[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol
PubChem CID91295400
Molecular FormulaC46H36N4O
Molecular Weight660.82 g/mol
Exact Mass660.29
IUPAC Name1-[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol
SMILESCC(O)c1ccc(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C46H36N4O/c1-29(51)30-17-19-34(20-18-30)46-41-27-25-39(49-41)44(32-13-7-3-8-14-32)37-23-21-35(47-37)43(31-11-5-2-6-12-31)36-22-24-38(48-36)45(33-15-9-4-10-16-33)40-26-28-42(46)50-40/h2-29,47-51H,1H3
InChIKeyLZEDFSPPUUYQRW-UHFFFAOYSA-N
XLogP6.35
TPSA83.39 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 56.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 101

Analyze 1-[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol with MolForge

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Related Compounds

CID 90976358
CID 90976358
1H-Pyrrole-3,4-dimethanol, a3,a4,2,5-tetraphenyl-
CID 363020
2,6-Difluoro-4-[10,15,20-tris(3,5-difluoro-4-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
CID 54455347
4-(10,15,20-Triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)benzoic acid
CID 53866001
4-[10,15,20-Tris(4-carboxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzoic acid
CID 53877037
4-[10,15,20-Tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzoic acid
CID 54208632
4-(10,15,20-Triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenol
CID 54235932
2-[10,15,20-Tris(2-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
CID 54266401
5,10,15,20-Tetrakis(p-tolyl)-21,22,23,24-tetrahydroporphyrin
CID 54303154
4-[10,15,20-Tris(4-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
CID 54388995
3-[10,15,20-Tris(3-hydroxyphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
CID 54566491
4-[10,15,20-Tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenol
CID 90723252

Frequently Asked Questions

What is the IUPAC name of 1-[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol?
The IUPAC name of 1-[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol (CID 91295400) is 1-[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol.
What is the SMILES notation for 1-[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol?
The canonical SMILES for 1-[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol is CC(O)c1ccc(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 1-[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol?
The InChIKey is LZEDFSPPUUYQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N4O/c1-29(51)30-17-19-34(20-18-30)46-41-27-25-39(49-41)44(32-13-7-3-8-14-32)37-23-21-35(47-37)43(31-11-5-2-6-12-31)36-22-24-38(48-36)45(33-15-9-4-10-16-33)40-26-28-42(46)50-40/h2-29,47-51H,1H3.
What are the key properties of 1-[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol?
1-[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol has a molecular weight of 660.82 g/mol, XLogP of 6.35, 5 rotatable bonds, 5 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol is sourced from PubChem (CID 91295400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).