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

C61H38N2 — CID 121340653

IUPAC23-(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
SMILESc1ccc(-c2cc(-n3c4ccc(-c5cccc6ccccc56)cc4c4cc5c6ccccc6c6cc(-c7ccc8ccccc8c7)ccc6c5cc43)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C61H38N2/c1-3-16-41(17-4-1)58-35-47(36-59(62-58)42-18-5-2-6-19-42)63-60-31-29-46(49-25-13-21-40-15-9-10-22-48(40)49)34-56(60)57-37-54-51-24-12-11-23-50(51)53-33-45(28-30-52(53)55(54)38-61(57)63)44-27-26-39-14-7-8-20-43(39)32-44/h1-38H
InChIKeyGLTAAIPUCVMTTR-UHFFFAOYSA-N
MW798.99 g/mol
LogP16.61
Rot. Bonds5

About 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

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 (PubChem CID 121340653) has the molecular formula C61H38N2 and a molecular weight of 798.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name23-(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
PubChem CID121340653
Molecular FormulaC61H38N2
Molecular Weight798.99 g/mol
Exact Mass798.30
IUPAC Name23-(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
SMILESc1ccc(-c2cc(-n3c4ccc(-c5cccc6ccccc56)cc4c4cc5c6ccccc6c6cc(-c7ccc8ccccc8c7)ccc6c5cc43)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C61H38N2/c1-3-16-41(17-4-1)58-35-47(36-59(62-58)42-18-5-2-6-19-42)63-60-31-29-46(49-25-13-21-40-15-9-10-22-48(40)49)34-56(60)57-37-54-51-24-12-11-23-50(51)53-33-45(28-30-52(53)55(54)38-61(57)63)44-27-26-39-14-7-8-20-43(39)32-44/h1-38H
InChIKeyGLTAAIPUCVMTTR-UHFFFAOYSA-N
XLogP16.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.99
LogP ≤ 516.61
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-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 with MolForge

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Related Compounds

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-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
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-6-phenylcarbazole
CID 177074708
3-[10-(2,6-diphenyl-4-pyridinyl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole;3-[10-(2,6-diphenyl-4-pyridinyl)triphenylen-1-yl]-9-phenylcarbazole;3-[10-(2,6-diphenyl-4-pyridinyl)triphenylen-1-yl]-9-(4-phenylphenyl)carbazole
CID 160582877
3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158169511
6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420566
3-[11-(4,6-diphenyl-2-pyridinyl)triphenylen-1-yl]-9-naphthalen-2-ylcarbazole
CID 138600048
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-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287046
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)carbazole
CID 177074694
9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole
CID 177074752

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-n3c4ccc(-c5cccc6ccccc56)cc4c4cc5c6ccccc6c6cc(-c7ccc8ccccc8c7)ccc6c5cc43)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is GLTAAIPUCVMTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2/c1-3-16-41(17-4-1)58-35-47(36-59(62-58)42-18-5-2-6-19-42)63-60-31-29-46(49-25-13-21-40-15-9-10-22-48(40)49)34-56(60)57-37-54-51-24-12-11-23-50(51)53-33-45(28-30-52(53)55(54)38-61(57)63)44-27-26-39-14-7-8-20-43(39)32-44/h1-38H.
What are the key properties of 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?
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 has a molecular weight of 798.99 g/mol, XLogP of 16.61, 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-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 is sourced from PubChem (CID 121340653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).