23-(2,6-diphenyl-4-pyridinyl)-19-naphthalen-2-yl-4-[4-(trifluoromethyl)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

C58H35F3N2 — CID 121346043

IUPAC23-(2,6-diphenyl-4-pyridinyl)-19-naphthalen-2-yl-4-[4-(trifluoromethyl)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
SMILESFC(F)(F)c1ccc(-c2ccc3c4ccccc4c4cc5c6cc(-c7ccc8ccccc8c7)ccc6n(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)c5cc4c3c2)cc1
InChIInChI=1S/C58H35F3N2/c59-58(60,61)44-25-21-37(22-26-44)42-23-27-48-46-17-9-10-18-47(46)50-34-53-52-31-43(41-20-19-36-11-7-8-16-40(36)29-41)24-28-56(52)63(57(53)35-51(50)49(48)30-42)45-32-54(38-12-3-1-4-13-38)62-55(33-45)39-14-5-2-6-15-39/h1-35H
InChIKeyONFMFVSLEYVPPO-UHFFFAOYSA-N
MW816.93 g/mol
LogP16.48
Rot. Bonds5

About 23-(2,6-diphenyl-4-pyridinyl)-19-naphthalen-2-yl-4-[4-(trifluoromethyl)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

23-(2,6-diphenyl-4-pyridinyl)-19-naphthalen-2-yl-4-[4-(trifluoromethyl)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 (PubChem CID 121346043) has the molecular formula C58H35F3N2 and a molecular weight of 816.93 g/mol. Its IUPAC name is 23-(2,6-diphenyl-4-pyridinyl)-19-naphthalen-2-yl-4-[4-(trifluoromethyl)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.

Molecular Properties

Compound Name23-(2,6-diphenyl-4-pyridinyl)-19-naphthalen-2-yl-4-[4-(trifluoromethyl)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
PubChem CID121346043
Molecular FormulaC58H35F3N2
Molecular Weight816.93 g/mol
Exact Mass816.28
IUPAC Name23-(2,6-diphenyl-4-pyridinyl)-19-naphthalen-2-yl-4-[4-(trifluoromethyl)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
SMILESFC(F)(F)c1ccc(-c2ccc3c4ccccc4c4cc5c6cc(-c7ccc8ccccc8c7)ccc6n(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)c5cc4c3c2)cc1
InChIInChI=1S/C58H35F3N2/c59-58(60,61)44-25-21-37(22-26-44)42-23-27-48-46-17-9-10-18-47(46)50-34-53-52-31-43(41-20-19-36-11-7-8-16-40(36)29-41)24-28-56(52)63(57(53)35-51(50)49(48)30-42)45-32-54(38-12-3-1-4-13-38)62-55(33-45)39-14-5-2-6-15-39/h1-35H
InChIKeyONFMFVSLEYVPPO-UHFFFAOYSA-N
XLogP16.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.93
LogP ≤ 516.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 23-(2,6-diphenyl-4-pyridinyl)-19-naphthalen-2-yl-4-[4-(trifluoromethyl)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 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

23-(2,6-diphenyl-4-pyridinyl)-19-(4-methylphenyl)-5-[4-(trifluoromethyl)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 121345617
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
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
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
23-[2,6-di(quinolin-8-yl)-4-pyridinyl]-19-phenyl-4-[4-(trifluoromethyl)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 121346156
23-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-11-dibenzothiophen-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 121340509
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
9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
CID 177074696
23-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-10-(9,9-dimethylfluoren-3-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 121340528
9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole
CID 58527038
9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
CID 139500404
11-(3,5-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)indolo[3,2-b]carbazole
CID 118318933

Frequently Asked Questions

What is the IUPAC name of 23-(2,6-diphenyl-4-pyridinyl)-19-naphthalen-2-yl-4-[4-(trifluoromethyl)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?
The IUPAC name of 23-(2,6-diphenyl-4-pyridinyl)-19-naphthalen-2-yl-4-[4-(trifluoromethyl)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 121346043) is 23-(2,6-diphenyl-4-pyridinyl)-19-naphthalen-2-yl-4-[4-(trifluoromethyl)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.
What is the SMILES notation for 23-(2,6-diphenyl-4-pyridinyl)-19-naphthalen-2-yl-4-[4-(trifluoromethyl)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?
The canonical SMILES for 23-(2,6-diphenyl-4-pyridinyl)-19-naphthalen-2-yl-4-[4-(trifluoromethyl)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 is FC(F)(F)c1ccc(-c2ccc3c4ccccc4c4cc5c6cc(-c7ccc8ccccc8c7)ccc6n(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)c5cc4c3c2)cc1.
What is the InChIKey of 23-(2,6-diphenyl-4-pyridinyl)-19-naphthalen-2-yl-4-[4-(trifluoromethyl)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?
The InChIKey is ONFMFVSLEYVPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35F3N2/c59-58(60,61)44-25-21-37(22-26-44)42-23-27-48-46-17-9-10-18-47(46)50-34-53-52-31-43(41-20-19-36-11-7-8-16-40(36)29-41)24-28-56(52)63(57(53)35-51(50)49(48)30-42)45-32-54(38-12-3-1-4-13-38)62-55(33-45)39-14-5-2-6-15-39/h1-35H.
What are the key properties of 23-(2,6-diphenyl-4-pyridinyl)-19-naphthalen-2-yl-4-[4-(trifluoromethyl)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?
23-(2,6-diphenyl-4-pyridinyl)-19-naphthalen-2-yl-4-[4-(trifluoromethyl)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 has a molecular weight of 816.93 g/mol, XLogP of 16.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(2,6-diphenyl-4-pyridinyl)-19-naphthalen-2-yl-4-[4-(trifluoromethyl)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 is sourced from PubChem (CID 121346043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).