23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene

C57H37N3 — CID 121340736

IUPAC23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene
SMILESCc1ccc(-c2ccc3c(c2)c2cc4c5ccccc5c5cc(-c6ccc7ccccc7c6)ccc5c4cc2n3-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C57H37N3/c1-36-20-22-38(23-21-36)43-27-29-54-51(32-43)52-33-49-46-19-11-10-18-45(46)48-31-44(42-25-24-37-12-8-9-17-41(37)30-42)26-28-47(48)50(49)34-55(52)60(54)56-35-53(39-13-4-2-5-14-39)58-57(59-56)40-15-6-3-7-16-40/h2-35H,1H3
InChIKeyXVTZZQVXCJJMJT-UHFFFAOYSA-N
MW763.94 g/mol
LogP15.16
Rot. Bonds5

About 23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene

23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene (PubChem CID 121340736) has the molecular formula C57H37N3 and a molecular weight of 763.94 g/mol. Its IUPAC name is 23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene.

Molecular Properties

Compound Name23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene
PubChem CID121340736
Molecular FormulaC57H37N3
Molecular Weight763.94 g/mol
Exact Mass763.30
IUPAC Name23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene
SMILESCc1ccc(-c2ccc3c(c2)c2cc4c5ccccc5c5cc(-c6ccc7ccccc7c6)ccc5c4cc2n3-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C57H37N3/c1-36-20-22-38(23-21-36)43-27-29-54-51(32-43)52-33-49-46-19-11-10-18-45(46)48-31-44(42-25-24-37-12-8-9-17-41(37)30-42)26-28-47(48)50(49)34-55(52)60(54)56-35-53(39-13-4-2-5-14-39)58-57(59-56)40-15-6-3-7-16-40/h2-35H,1H3
InChIKeyXVTZZQVXCJJMJT-UHFFFAOYSA-N
XLogP15.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.94
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-dibenzofuran-3-yl-23-(2,6-diphenylpyrimidin-4-yl)-19-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 121340643
5-dibenzofuran-3-yl-23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 121340735
23-(2,6-dinaphthalen-2-yl-4-pyridinyl)-10-(4-methylphenyl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene
CID 121340582
11-dibenzofuran-2-yl-23-(2,6-diphenylpyrimidin-4-yl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene
CID 121340496
23-(2,6-diphenyl-4-pyridinyl)-10-naphthalen-2-yl-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene
CID 121340489
5-(9,9-dimethylfluoren-2-yl)-23-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 121340588
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511179
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 159963707
9-[6-(3,6-diphenylcarbazol-9-yl)-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole
CID 59330290
7-(2,6-diphenylpyrimidin-4-yl)-3-phenanthren-2-ylbenzo[c]carbazole
CID 130350785
23-(2,6-diphenyl-4-pyridinyl)-19-naphthalen-1-yl-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 121340653

Frequently Asked Questions

What is the IUPAC name of 23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene?
The IUPAC name of 23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene (CID 121340736) is 23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene.
What is the SMILES notation for 23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene?
The canonical SMILES for 23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene is Cc1ccc(-c2ccc3c(c2)c2cc4c5ccccc5c5cc(-c6ccc7ccccc7c6)ccc5c4cc2n3-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene?
The InChIKey is XVTZZQVXCJJMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3/c1-36-20-22-38(23-21-36)43-27-29-54-51(32-43)52-33-49-46-19-11-10-18-45(46)48-31-44(42-25-24-37-12-8-9-17-41(37)30-42)26-28-47(48)50(49)34-55(52)60(54)56-35-53(39-13-4-2-5-14-39)58-57(59-56)40-15-6-3-7-16-40/h2-35H,1H3.
What are the key properties of 23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene?
23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene has a molecular weight of 763.94 g/mol, XLogP of 15.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(2,6-diphenylpyrimidin-4-yl)-19-(4-methylphenyl)-5-naphthalen-2-yl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene is sourced from PubChem (CID 121340736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).