2-N,2-N,12-N,12-N-tetrakis(2-aminoethyl)-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxamide

C34H48N10O2 — CID 46888626

IUPAC2-N,2-N,12-N,12-N-tetrakis(2-aminoethyl)-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxamide
SMILESCC1(C)Cc2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)cc5C(=O)N(CCN)CCN)CC4(C)C)cc3C(=O)N(CCN)CCN
InChIInChI=1S/C34H48N10O2/c1-33(2)19-23-15-27-26(32(46)44(11-7-37)12-8-38)14-22(40-27)18-30-34(3,4)20-24(42-30)16-28-25(13-21(39-28)17-29(33)41-23)31(45)43(9-5-35)10-6-36/h13-18,39-40H,5-12,19-20,35-38H2,1-4H3/b21-17-,22-18-,23-15-,24-16-,27-15-,28-16-,29-17-,30-18-
InChIKeyXDGZTPNUHPZCDH-ALKOTRKSSA-N
MW628.83 g/mol
LogP2.07
Rot. Bonds10

About 2-N,2-N,12-N,12-N-tetrakis(2-aminoethyl)-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxamide

2-N,2-N,12-N,12-N-tetrakis(2-aminoethyl)-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxamide (PubChem CID 46888626) has the molecular formula C34H48N10O2 and a molecular weight of 628.83 g/mol. Its IUPAC name is 2-N,2-N,12-N,12-N-tetrakis(2-aminoethyl)-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N,12-N,12-N-tetrakis(2-aminoethyl)-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxamide
PubChem CID46888626
Molecular FormulaC34H48N10O2
Molecular Weight628.83 g/mol
Exact Mass628.40
IUPAC Name2-N,2-N,12-N,12-N-tetrakis(2-aminoethyl)-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxamide
SMILESCC1(C)Cc2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)cc5C(=O)N(CCN)CCN)CC4(C)C)cc3C(=O)N(CCN)CCN
InChIInChI=1S/C34H48N10O2/c1-33(2)19-23-15-27-26(32(46)44(11-7-37)12-8-38)14-22(40-27)18-30-34(3,4)20-24(42-30)16-28-25(13-21(39-28)17-29(33)41-23)31(45)43(9-5-35)10-6-36/h13-18,39-40H,5-12,19-20,35-38H2,1-4H3/b21-17-,22-18-,23-15-,24-16-,27-15-,28-16-,29-17-,30-18-
InChIKeyXDGZTPNUHPZCDH-ALKOTRKSSA-N
XLogP2.07
TPSA202.06 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.83
LogP ≤ 52.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 2-N,2-N,12-N,12-N-tetrakis(2-aminoethyl)-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,12-N,12-N-tetrakis(2-aminoethyl)-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxamide?
The IUPAC name of 2-N,2-N,12-N,12-N-tetrakis(2-aminoethyl)-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxamide (CID 46888626) is 2-N,2-N,12-N,12-N-tetrakis(2-aminoethyl)-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxamide.
What is the SMILES notation for 2-N,2-N,12-N,12-N-tetrakis(2-aminoethyl)-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxamide?
The canonical SMILES for 2-N,2-N,12-N,12-N-tetrakis(2-aminoethyl)-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxamide is CC1(C)Cc2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)cc5C(=O)N(CCN)CCN)CC4(C)C)cc3C(=O)N(CCN)CCN.
What is the InChIKey of 2-N,2-N,12-N,12-N-tetrakis(2-aminoethyl)-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxamide?
The InChIKey is XDGZTPNUHPZCDH-ALKOTRKSSA-N. The full InChI is InChI=1S/C34H48N10O2/c1-33(2)19-23-15-27-26(32(46)44(11-7-37)12-8-38)14-22(40-27)18-30-34(3,4)20-24(42-30)16-28-25(13-21(39-28)17-29(33)41-23)31(45)43(9-5-35)10-6-36/h13-18,39-40H,5-12,19-20,35-38H2,1-4H3/b21-17-,22-18-,23-15-,24-16-,27-15-,28-16-,29-17-,30-18-.
What are the key properties of 2-N,2-N,12-N,12-N-tetrakis(2-aminoethyl)-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxamide?
2-N,2-N,12-N,12-N-tetrakis(2-aminoethyl)-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxamide has a molecular weight of 628.83 g/mol, XLogP of 2.07, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,12-N,12-N-tetrakis(2-aminoethyl)-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxamide is sourced from PubChem (CID 46888626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).