5,10,15,20-tetrakis(4-tert-butylphenyl)-22,24-dihydroporphyrin-2-amine

C60H63N5 — CID 177400396

IUPAC5,10,15,20-tetrakis(4-tert-butylphenyl)-22,24-dihydroporphyrin-2-amine
SMILESCC(C)(C)c1ccc(-c2c3nc(c(-c4ccc(C(C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(C(C)(C)C)cc4)c4nc(c(-c5ccc(C(C)(C)C)cc5)c5ccc2[nH]5)C=C4N)C=C3)cc1
InChIInChI=1S/C60H63N5/c1-57(2,3)40-21-13-36(14-22-40)52-45-29-30-46(62-45)53(37-15-23-41(24-16-37)58(4,5)6)48-33-34-50(64-48)55(39-19-27-43(28-20-39)60(10,11)12)56-44(61)35-51(65-56)54(49-32-31-47(52)63-49)38-17-25-42(26-18-38)59(7,8)9/h13-35,63-64H,61H2,1-12H3/b52-45-,52-47-,53-46-,53-48-,54-49-,54-51-,55-50-,56-55-
InChIKeyJXOXLATVKSVLAK-AFQVUMPUSA-N
MW854.20 g/mol
LogP15.80
Rot. Bonds4

About 5,10,15,20-tetrakis(4-tert-butylphenyl)-22,24-dihydroporphyrin-2-amine

5,10,15,20-tetrakis(4-tert-butylphenyl)-22,24-dihydroporphyrin-2-amine (PubChem CID 177400396) has the molecular formula C60H63N5 and a molecular weight of 854.20 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(4-tert-butylphenyl)-22,24-dihydroporphyrin-2-amine.

Molecular Properties

Compound Name5,10,15,20-tetrakis(4-tert-butylphenyl)-22,24-dihydroporphyrin-2-amine
PubChem CID177400396
Molecular FormulaC60H63N5
Molecular Weight854.20 g/mol
Exact Mass853.51
IUPAC Name5,10,15,20-tetrakis(4-tert-butylphenyl)-22,24-dihydroporphyrin-2-amine
SMILESCC(C)(C)c1ccc(-c2c3nc(c(-c4ccc(C(C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(C(C)(C)C)cc4)c4nc(c(-c5ccc(C(C)(C)C)cc5)c5ccc2[nH]5)C=C4N)C=C3)cc1
InChIInChI=1S/C60H63N5/c1-57(2,3)40-21-13-36(14-22-40)52-45-29-30-46(62-45)53(37-15-23-41(24-16-37)58(4,5)6)48-33-34-50(64-48)55(39-19-27-43(28-20-39)60(10,11)12)56-44(61)35-51(65-56)54(49-32-31-47(52)63-49)38-17-25-42(26-18-38)59(7,8)9/h13-35,63-64H,61H2,1-12H3/b52-45-,52-47-,53-46-,53-48-,54-49-,54-51-,55-50-,56-55-
InChIKeyJXOXLATVKSVLAK-AFQVUMPUSA-N
XLogP15.80
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.20
LogP ≤ 515.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5,10,15,20-tetrakis(4-methylphenyl)-23,24-dihydroporphyrin-2-amine
CID 135855105
5,10,15-tris(4-tert-butylphenyl)-22,24-dihydro-21H-corrin
CID 74788342
5,20-bis(4-tert-butylphenyl)-10,15-bis(4-iodophenyl)-21,23-dihydroporphyrin
CID 136913893
5,10,15,20-tetrakis(3,5-ditert-butylphenyl)-22,24-dihydroporphyrin-2,3-diamine
CID 135451953
22,25-dibromo-2,7,12,17-tetrakis(4-tert-butylphenyl)-20,27,29,30,31,32-hexazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.021,26]dotriaconta-1(29),2,4,6,8(31),9,11,13,15,17,19,21,23,25,27-pentadecaene
CID 136869880
4-[10,20-bis(4-tert-butylphenyl)-15-(4-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 137211640
5,10,15,20-tetrakis(4-tert-butylphenyl)-23-methyl-21H-porphyrin
CID 118491319
5,15-bis(3,5-ditert-butylphenyl)-10,20-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 136773315
10,20-bis(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-amine
CID 136683333
2,7,12,17-tetrakis(3,5-ditert-butylphenyl)-20,27,29,30,31,32-hexazaheptacyclo[16.10.1.13,6.18,11.113,16.019,28.021,26]dotriaconta-1(29),2,4,6,8(31),9,11,13,15,17,19,21(26),22,24,27-pentadecaen-23-amine
CID 136774144
trimethyl-[2-[4-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]silane
CID 10629493
nickel;4-[10,15,20-tris(4-aminophenyl)-21,23-dihydroporphyrin-5-yl]aniline
CID 174749730

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(4-tert-butylphenyl)-22,24-dihydroporphyrin-2-amine?
The IUPAC name of 5,10,15,20-tetrakis(4-tert-butylphenyl)-22,24-dihydroporphyrin-2-amine (CID 177400396) is 5,10,15,20-tetrakis(4-tert-butylphenyl)-22,24-dihydroporphyrin-2-amine.
What is the SMILES notation for 5,10,15,20-tetrakis(4-tert-butylphenyl)-22,24-dihydroporphyrin-2-amine?
The canonical SMILES for 5,10,15,20-tetrakis(4-tert-butylphenyl)-22,24-dihydroporphyrin-2-amine is CC(C)(C)c1ccc(-c2c3nc(c(-c4ccc(C(C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(C(C)(C)C)cc4)c4nc(c(-c5ccc(C(C)(C)C)cc5)c5ccc2[nH]5)C=C4N)C=C3)cc1.
What is the InChIKey of 5,10,15,20-tetrakis(4-tert-butylphenyl)-22,24-dihydroporphyrin-2-amine?
The InChIKey is JXOXLATVKSVLAK-AFQVUMPUSA-N. The full InChI is InChI=1S/C60H63N5/c1-57(2,3)40-21-13-36(14-22-40)52-45-29-30-46(62-45)53(37-15-23-41(24-16-37)58(4,5)6)48-33-34-50(64-48)55(39-19-27-43(28-20-39)60(10,11)12)56-44(61)35-51(65-56)54(49-32-31-47(52)63-49)38-17-25-42(26-18-38)59(7,8)9/h13-35,63-64H,61H2,1-12H3/b52-45-,52-47-,53-46-,53-48-,54-49-,54-51-,55-50-,56-55-.
What are the key properties of 5,10,15,20-tetrakis(4-tert-butylphenyl)-22,24-dihydroporphyrin-2-amine?
5,10,15,20-tetrakis(4-tert-butylphenyl)-22,24-dihydroporphyrin-2-amine has a molecular weight of 854.20 g/mol, XLogP of 15.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(4-tert-butylphenyl)-22,24-dihydroporphyrin-2-amine is sourced from PubChem (CID 177400396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).