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

C55H35F3N2 — CID 121345617

IUPAC23-(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
SMILESCc1ccc(-c2ccc3c(c2)c2cc4c5ccccc5c5cc(-c6ccc(C(F)(F)F)cc6)ccc5c4cc2n3-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C55H35F3N2/c1-34-16-18-35(19-17-34)40-23-27-53-49(29-40)50-32-47-44-15-9-8-14-43(44)46-28-39(36-20-24-41(25-21-36)55(56,57)58)22-26-45(46)48(47)33-54(50)60(53)42-30-51(37-10-4-2-5-11-37)59-52(31-42)38-12-6-3-7-13-38/h2-33H,1H3
InChIKeyGWEVQVQRPNXZON-UHFFFAOYSA-N
MW780.89 g/mol
LogP15.63
Rot. Bonds5

About 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

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 (PubChem CID 121345617) has the molecular formula C55H35F3N2 and a molecular weight of 780.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name23-(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
PubChem CID121345617
Molecular FormulaC55H35F3N2
Molecular Weight780.89 g/mol
Exact Mass780.28
IUPAC Name23-(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
SMILESCc1ccc(-c2ccc3c(c2)c2cc4c5ccccc5c5cc(-c6ccc(C(F)(F)F)cc6)ccc5c4cc2n3-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C55H35F3N2/c1-34-16-18-35(19-17-34)40-23-27-53-49(29-40)50-32-47-44-15-9-8-14-43(44)46-28-39(36-20-24-41(25-21-36)55(56,57)58)22-26-45(46)48(47)33-54(50)60(53)42-30-51(37-10-4-2-5-11-37)59-52(31-42)38-12-6-3-7-13-38/h2-33H,1H3
InChIKeyGWEVQVQRPNXZON-UHFFFAOYSA-N
XLogP15.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.89
LogP ≤ 515.63
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-(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 with MolForge

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Related Compounds

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
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)-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-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
9-(2,6-diphenyl-4-pyridinyl)-2-(3-methylphenyl)carbazole
CID 145333962
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-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
2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 71287081
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole
CID 138555653
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2ccc3c(c2)c2cc4c5ccccc5c5cc(-c6ccc(C(F)(F)F)cc6)ccc5c4cc2n3-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is GWEVQVQRPNXZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35F3N2/c1-34-16-18-35(19-17-34)40-23-27-53-49(29-40)50-32-47-44-15-9-8-14-43(44)46-28-39(36-20-24-41(25-21-36)55(56,57)58)22-26-45(46)48(47)33-54(50)60(53)42-30-51(37-10-4-2-5-11-37)59-52(31-42)38-12-6-3-7-13-38/h2-33H,1H3.
What are the key properties of 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?
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 has a molecular weight of 780.89 g/mol, XLogP of 15.63, 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-(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 is sourced from PubChem (CID 121345617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).