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

C44H33N5 — CID 54127643

IUPAC4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)aniline
SMILESNc1ccc(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C44H33N5/c45-32-18-16-31(17-19-32)44-39-26-24-37(48-39)42(29-12-6-2-7-13-29)35-22-20-33(46-35)41(28-10-4-1-5-11-28)34-21-23-36(47-34)43(30-14-8-3-9-15-30)38-25-27-40(44)49-38/h1-27,46-49H,45H2
InChIKeyFCFHIZVHVPPECZ-UHFFFAOYSA-N
MW631.78 g/mol
LogP5.88
Rot. Bonds4

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

4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)aniline (PubChem CID 54127643) has the molecular formula C44H33N5 and a molecular weight of 631.78 g/mol. Its IUPAC name is 4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)aniline.

Molecular Properties

Compound Name4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)aniline
PubChem CID54127643
Molecular FormulaC44H33N5
Molecular Weight631.78 g/mol
Exact Mass631.27
IUPAC Name4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)aniline
SMILESNc1ccc(C2=c3ccc([nH]3)=C(c3ccccc3)c3ccc([nH]3)C(c3ccccc3)=c3ccc([nH]3)=C(c3ccccc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C44H33N5/c45-32-18-16-31(17-19-32)44-39-26-24-37(48-39)42(29-12-6-2-7-13-29)35-22-20-33(46-35)41(28-10-4-1-5-11-28)34-21-23-36(47-34)43(30-14-8-3-9-15-30)38-25-27-40(44)49-38/h1-27,46-49H,45H2
InChIKeyFCFHIZVHVPPECZ-UHFFFAOYSA-N
XLogP5.88
TPSA89.18 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.78
LogP ≤ 55.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,5-Diphenyl-1H-pyrrole
CID 244877
2-(4-Aminophenyl)indole
CID 30845
5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin
CID 135401562
1H-Pyrrole, 2,3,4,5-tetraphenyl-
CID 76753
5,15-Diphenyl-21H,23H-porphine
CID 10895852
5,10,15,20-Tetraphenyl-21,22-dihydroporphyrin
CID 70186
(3E)-2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methylidene]indole
CID 5762378
5,15-Diphenyl-2,3,22,24-tetrahydroporphyrin
CID 11719635
Ttmapp
CID 135433388
5,10,15,20-Tetrakis(4-aminophenyl)-21H,23H-porphine
CID 135411734
3,3',3''-Methylidynetris(2-methylindole)
CID 253631
Tetraphenylporphyrin
CID 86280046

Frequently Asked Questions

What is the IUPAC name of 4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)aniline?
The IUPAC name of 4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)aniline (CID 54127643) is 4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)aniline.
What is the SMILES notation for 4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)aniline?
The canonical SMILES for 4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)aniline is Nc1ccc(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)aniline?
The InChIKey is FCFHIZVHVPPECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N5/c45-32-18-16-31(17-19-32)44-39-26-24-37(48-39)42(29-12-6-2-7-13-29)35-22-20-33(46-35)41(28-10-4-1-5-11-28)34-21-23-36(47-34)43(30-14-8-3-9-15-30)38-25-27-40(44)49-38/h1-27,46-49H,45H2.
What are the key properties of 4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)aniline?
4-(10,15,20-triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)aniline has a molecular weight of 631.78 g/mol, XLogP of 5.88, 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)aniline is sourced from PubChem (CID 54127643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).