5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin

C42H31N7 — CID 91460206

IUPAC5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
SMILESCc1ccc(C2=c3ccc([nH]3)=C(c3ccncc3)c3ccc([nH]3)C(c3ccncc3)=c3ccc([nH]3)=C(c3ccncc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C42H31N7/c1-26-2-4-27(5-3-26)39-31-6-8-33(46-31)40(28-14-20-43-21-15-28)35-10-12-37(48-35)42(30-18-24-45-25-19-30)38-13-11-36(49-38)41(29-16-22-44-23-17-29)34-9-7-32(39)47-34/h2-25,46-49H,1H3
InChIKeyHQJTWYIOSCCECR-UHFFFAOYSA-N
MW633.76 g/mol
LogP4.80
Rot. Bonds4

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

5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin (PubChem CID 91460206) has the molecular formula C42H31N7 and a molecular weight of 633.76 g/mol. Its IUPAC name is 5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
PubChem CID91460206
Molecular FormulaC42H31N7
Molecular Weight633.76 g/mol
Exact Mass633.26
IUPAC Name5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
SMILESCc1ccc(C2=c3ccc([nH]3)=C(c3ccncc3)c3ccc([nH]3)C(c3ccncc3)=c3ccc([nH]3)=C(c3ccncc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C42H31N7/c1-26-2-4-27(5-3-26)39-31-6-8-33(46-31)40(28-14-20-43-21-15-28)35-10-12-37(48-35)42(30-18-24-45-25-19-30)38-13-11-36(49-38)41(29-16-22-44-23-17-29)34-9-7-32(39)47-34/h2-25,46-49H,1H3
InChIKeyHQJTWYIOSCCECR-UHFFFAOYSA-N
XLogP4.80
TPSA101.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.76
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5,10-bis(2,3,4,5,6-pentafluorophenyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin
CID 154053299
5-(4-methylphenyl)-10-phenyl-15,20-dipyridin-3-yl-21,22,23,24-tetrahydroporphyrin
CID 90850065
5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin
CID 154080106
iron(3+);5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin;trichloride
CID 159454747
4-[10,15,20-tris(4-formylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzaldehyde
CID 123358808
4-methylpyridine;4-pyridin-4-ylpyridine
CID 118057744
N-[4-(10,15,20-tripyridin-3-yl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]acetamide
CID 91485582
2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine
CID 134692019
5-[4-(diethoxyphosphorylmethyl)phenyl]-10,15,20-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin
CID 91111553
[4-[10,15,20-tris(4-phosphonophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]phosphonic acid
CID 57074987
4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine
CID 140885402
2,12,22-tris(4-methylphenyl)-7,17,27-tris(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8,10,12,14,16(34),17,19,21,23,25,27,29-hexadecaene
CID 132503776

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin (CID 91460206) is 5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin is Cc1ccc(C2=c3ccc([nH]3)=C(c3ccncc3)c3ccc([nH]3)C(c3ccncc3)=c3ccc([nH]3)=C(c3ccncc3)c3ccc2[nH]3)cc1.
What is the InChIKey of 5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is HQJTWYIOSCCECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N7/c1-26-2-4-27(5-3-26)39-31-6-8-33(46-31)40(28-14-20-43-21-15-28)35-10-12-37(48-35)42(30-18-24-45-25-19-30)38-13-11-36(49-38)41(29-16-22-44-23-17-29)34-9-7-32(39)47-34/h2-25,46-49H,1H3.
What are the key properties of 5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 633.76 g/mol, XLogP of 4.80, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91460206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).