11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide

C62H40N3OP — CID 134317366

IUPAC11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide
SMILESO=P12c3c4cccc3N3c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccc(c1c53)N(c1ccccc1)c1ccc3c(c12)N4c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C62H40N3OP/c66-67-58-52-35-20-36-53(58)65-51-34-19-17-32-47(51)62(43-25-10-3-11-26-43,44-27-12-4-13-28-44)49-38-40-55(60(67)57(49)65)63(45-29-14-5-15-30-45)54-39-37-48-56(59(54)67)64(52)50-33-18-16-31-46(50)61(48,41-21-6-1-7-22-41)42-23-8-2-9-24-42/h1-40H
InChIKeyUQOVKOQJYRUZBN-UHFFFAOYSA-N
MW874.00 g/mol
LogP14.07
Rot. Bonds5

About 11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide

11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide (PubChem CID 134317366) has the molecular formula C62H40N3OP and a molecular weight of 874.00 g/mol. Its IUPAC name is 11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide.

Molecular Properties

Compound Name11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide
PubChem CID134317366
Molecular FormulaC62H40N3OP
Molecular Weight874.00 g/mol
Exact Mass873.29
IUPAC Name11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide
SMILESO=P12c3c4cccc3N3c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccc(c1c53)N(c1ccccc1)c1ccc3c(c12)N4c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C62H40N3OP/c66-67-58-52-35-20-36-53(58)65-51-34-19-17-32-47(51)62(43-25-10-3-11-26-43,44-27-12-4-13-28-44)49-38-40-55(60(67)57(49)65)63(45-29-14-5-15-30-45)54-39-37-48-56(59(54)67)64(52)50-33-18-16-31-46(50)61(48,41-21-6-1-7-22-41)42-23-8-2-9-24-42/h1-40H
InChIKeyUQOVKOQJYRUZBN-UHFFFAOYSA-N
XLogP14.07
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.00
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide with MolForge

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Related Compounds

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CID 121259219
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide
CID 140898981
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
8,10'-diphenylspiro[1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-14,9'-acridine]
CID 155605491
4,8,8,14,14,18-hexakis-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 140932144
4-(9,9-diphenylacridin-10-yl)benzonitrile
CID 59470082
N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline
CID 121259178
8',8',22',22'-tetramethyl-8-phenylspiro[1,8-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,14'-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene]
CID 153311854
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CID 134578132

Frequently Asked Questions

What is the IUPAC name of 11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide?
The IUPAC name of 11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide (CID 134317366) is 11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide.
What is the SMILES notation for 11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide?
The canonical SMILES for 11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide is O=P12c3c4cccc3N3c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccc(c1c53)N(c1ccccc1)c1ccc3c(c12)N4c1ccccc1C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide?
The InChIKey is UQOVKOQJYRUZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N3OP/c66-67-58-52-35-20-36-53(58)65-51-34-19-17-32-47(51)62(43-25-10-3-11-26-43,44-27-12-4-13-28-44)49-38-40-55(60(67)57(49)65)63(45-29-14-5-15-30-45)54-39-37-48-56(59(54)67)64(52)50-33-18-16-31-46(50)61(48,41-21-6-1-7-22-41)42-23-8-2-9-24-42/h1-40H.
What are the key properties of 11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide?
11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide has a molecular weight of 874.00 g/mol, XLogP of 14.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide is sourced from PubChem (CID 134317366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).