17-methyl-5-N,5-N,11-N,11-N,8,14,22-heptakis(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine

C68H58N5OP — CID 134317428

IUPAC17-methyl-5-N,5-N,11-N,11-N,8,14,22-heptakis(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2cc3c4c(c2)N(c2ccc(C)cc2)c2cc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc5c2P4(=O)c2c(cc(C)cc2N5c2ccc(C)cc2)N3c2ccc(C)cc2)cc1
InChIInChI=1S/C68H58N5OP/c1-43-9-23-51(24-10-43)69(52-25-11-44(2)12-26-52)58-39-62-67-64(41-58)73(57-35-21-49(7)22-36-57)65-42-59(70(53-27-13-45(3)14-28-53)54-29-15-46(4)16-30-54)40-63-68(65)75(67,74)66-60(71(62)55-31-17-47(5)18-32-55)37-50(8)38-61(66)72(63)56-33-19-48(6)20-34-56/h9-42H,1-8H3
InChIKeyMNUXGRDGZBJFFT-UHFFFAOYSA-N
MW992.22 g/mol
LogP18.08
Rot. Bonds9

About 17-methyl-5-N,5-N,11-N,11-N,8,14,22-heptakis(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine

17-methyl-5-N,5-N,11-N,11-N,8,14,22-heptakis(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine (PubChem CID 134317428) has the molecular formula C68H58N5OP and a molecular weight of 992.22 g/mol. Its IUPAC name is 17-methyl-5-N,5-N,11-N,11-N,8,14,22-heptakis(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine.

Molecular Properties

Compound Name17-methyl-5-N,5-N,11-N,11-N,8,14,22-heptakis(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine
PubChem CID134317428
Molecular FormulaC68H58N5OP
Molecular Weight992.22 g/mol
Exact Mass991.44
IUPAC Name17-methyl-5-N,5-N,11-N,11-N,8,14,22-heptakis(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2cc3c4c(c2)N(c2ccc(C)cc2)c2cc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc5c2P4(=O)c2c(cc(C)cc2N5c2ccc(C)cc2)N3c2ccc(C)cc2)cc1
InChIInChI=1S/C68H58N5OP/c1-43-9-23-51(24-10-43)69(52-25-11-44(2)12-26-52)58-39-62-67-64(41-58)73(57-35-21-49(7)22-36-57)65-42-59(70(53-27-13-45(3)14-28-53)54-29-15-46(4)16-30-54)40-63-68(65)75(67,74)66-60(71(62)55-31-17-47(5)18-32-55)37-50(8)38-61(66)72(63)56-33-19-48(6)20-34-56/h9-42H,1-8H3
InChIKeyMNUXGRDGZBJFFT-UHFFFAOYSA-N
XLogP18.08
TPSA33.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500992.22
LogP ≤ 518.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 17-methyl-5-N,5-N,11-N,11-N,8,14,22-heptakis(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-methyl-5-N,5-N,11-N,11-N,8,14,22-heptakis(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine?
The IUPAC name of 17-methyl-5-N,5-N,11-N,11-N,8,14,22-heptakis(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine (CID 134317428) is 17-methyl-5-N,5-N,11-N,11-N,8,14,22-heptakis(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine.
What is the SMILES notation for 17-methyl-5-N,5-N,11-N,11-N,8,14,22-heptakis(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine?
The canonical SMILES for 17-methyl-5-N,5-N,11-N,11-N,8,14,22-heptakis(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine is Cc1ccc(N(c2ccc(C)cc2)c2cc3c4c(c2)N(c2ccc(C)cc2)c2cc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc5c2P4(=O)c2c(cc(C)cc2N5c2ccc(C)cc2)N3c2ccc(C)cc2)cc1.
What is the InChIKey of 17-methyl-5-N,5-N,11-N,11-N,8,14,22-heptakis(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine?
The InChIKey is MNUXGRDGZBJFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H58N5OP/c1-43-9-23-51(24-10-43)69(52-25-11-44(2)12-26-52)58-39-62-67-64(41-58)73(57-35-21-49(7)22-36-57)65-42-59(70(53-27-13-45(3)14-28-53)54-29-15-46(4)16-30-54)40-63-68(65)75(67,74)66-60(71(62)55-31-17-47(5)18-32-55)37-50(8)38-61(66)72(63)56-33-19-48(6)20-34-56/h9-42H,1-8H3.
What are the key properties of 17-methyl-5-N,5-N,11-N,11-N,8,14,22-heptakis(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine?
17-methyl-5-N,5-N,11-N,11-N,8,14,22-heptakis(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine has a molecular weight of 992.22 g/mol, XLogP of 18.08, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-5-N,5-N,11-N,11-N,8,14,22-heptakis(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine is sourced from PubChem (CID 134317428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).