15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

C58H34N2O — CID 126679300

IUPAC15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
SMILESc1ccc2c(-n3c4ccc5c6ccccc6oc5c4c4ccc5c(c6ccccc6n5-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)c43)cccc2c1
InChIInChI=1S/C58H34N2O/c1-2-14-39-36(12-1)13-11-22-50(39)60-53-32-30-46-45-19-8-10-23-54(45)61-58(46)56(53)48-31-33-52-55(57(48)60)47-20-7-9-21-51(47)59(52)38-27-24-35(25-28-38)37-26-29-44-42-17-4-3-15-40(42)41-16-5-6-18-43(41)49(44)34-37/h1-34H
InChIKeyRTQNURXIMCVMJK-UHFFFAOYSA-N
MW774.92 g/mol
LogP16.06
Rot. Bonds3

About 15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (PubChem CID 126679300) has the molecular formula C58H34N2O and a molecular weight of 774.92 g/mol. Its IUPAC name is 15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
PubChem CID126679300
Molecular FormulaC58H34N2O
Molecular Weight774.92 g/mol
Exact Mass774.27
IUPAC Name15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
SMILESc1ccc2c(-n3c4ccc5c6ccccc6oc5c4c4ccc5c(c6ccccc6n5-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)c43)cccc2c1
InChIInChI=1S/C58H34N2O/c1-2-14-39-36(12-1)13-11-22-50(39)60-53-32-30-46-45-19-8-10-23-54(45)61-58(46)56(53)48-31-33-52-55(57(48)60)47-20-7-9-21-51(47)59(52)38-27-24-35(25-28-38)37-26-29-44-42-17-4-3-15-40(42)41-16-5-6-18-43(41)49(44)34-37/h1-34H
InChIKeyRTQNURXIMCVMJK-UHFFFAOYSA-N
XLogP16.06
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.92
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene with MolForge

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Related Compounds

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15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
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15-dibenzofuran-4-yl-24-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-(3-dibenzofuran-4-ylphenyl)-24-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-dibenzofuran-4-ylphenyl)-24-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
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10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole
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Frequently Asked Questions

What is the IUPAC name of 15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?
The IUPAC name of 15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (CID 126679300) is 15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.
What is the SMILES notation for 15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?
The canonical SMILES for 15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is c1ccc2c(-n3c4ccc5c6ccccc6oc5c4c4ccc5c(c6ccccc6n5-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)c43)cccc2c1.
What is the InChIKey of 15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?
The InChIKey is RTQNURXIMCVMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2O/c1-2-14-39-36(12-1)13-11-22-50(39)60-53-32-30-46-45-19-8-10-23-54(45)61-58(46)56(53)48-31-33-52-55(57(48)60)47-20-7-9-21-51(47)59(52)38-27-24-35(25-28-38)37-26-29-44-42-17-4-3-15-40(42)41-16-5-6-18-43(41)49(44)34-37/h1-34H.
What are the key properties of 15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?
15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene has a molecular weight of 774.92 g/mol, XLogP of 16.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 126679300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).