24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-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

C59H38N2O — CID 126677998

IUPAC24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-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
SMILESCC1C=Cc2c(c3ccc(-c4ccc(-n5c6ccccc6c6c5ccc5c7c8oc9ccccc9c8ccc7n(-c7ccc8ccccc8c7)c56)cc4)cc3c3ccccc23)C1
InChIInChI=1S/C59H38N2O/c1-35-18-26-44-42-12-4-5-13-43(42)51-34-39(22-27-45(51)50(44)32-35)37-19-23-40(24-20-37)60-52-16-8-6-15-48(52)56-53(60)31-29-49-57-54(30-28-47-46-14-7-9-17-55(46)62-59(47)57)61(58(49)56)41-25-21-36-10-2-3-11-38(36)33-41/h2-31,33-35H,32H2,1H3
InChIKeyQWTQDEXVEMLVLP-UHFFFAOYSA-N
MW790.97 g/mol
LogP16.11
Rot. Bonds3

About 24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-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-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-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 126677998) has the molecular formula C59H38N2O and a molecular weight of 790.97 g/mol. Its IUPAC name is 24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-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 Name24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-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 CID126677998
Molecular FormulaC59H38N2O
Molecular Weight790.97 g/mol
Exact Mass790.30
IUPAC Name24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-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
SMILESCC1C=Cc2c(c3ccc(-c4ccc(-n5c6ccccc6c6c5ccc5c7c8oc9ccccc9c8ccc7n(-c7ccc8ccccc8c7)c56)cc4)cc3c3ccccc23)C1
InChIInChI=1S/C59H38N2O/c1-35-18-26-44-42-12-4-5-13-43(42)51-34-39(22-27-45(51)50(44)32-35)37-19-23-40(24-20-37)60-52-16-8-6-15-48(52)56-53(60)31-29-49-57-54(30-28-47-46-14-7-9-17-55(46)62-59(47)57)61(58(49)56)41-25-21-36-10-2-3-11-38(36)33-41/h2-31,33-35H,32H2,1H3
InChIKeyQWTQDEXVEMLVLP-UHFFFAOYSA-N
XLogP16.11
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 516.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-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

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
3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;12-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 160760258
15-fluoranthen-2-yl-24-naphthalen-2-yl-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 126678003
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
24-[6-(4,6-diphenyl-1,3,5-triazinan-2-yl)naphthalen-2-yl]-15-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
CID 126679083
12-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindolo[2,3-a]carbazole;12-naphthalen-2-yl-9-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-c]carbazole
CID 158507542
5-dibenzofuran-4-yl-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 167029640
9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 121343394
10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 163950755
15-fluoranthen-2-yl-24-(3-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
CID 126680236
12-(4-dibenzofuran-4-ylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 126580189

Frequently Asked Questions

What is the IUPAC name of 24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-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 24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-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 126677998) is 24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-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 24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-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 24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-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 CC1C=Cc2c(c3ccc(-c4ccc(-n5c6ccccc6c6c5ccc5c7c8oc9ccccc9c8ccc7n(-c7ccc8ccccc8c7)c56)cc4)cc3c3ccccc23)C1.
What is the InChIKey of 24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-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 QWTQDEXVEMLVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2O/c1-35-18-26-44-42-12-4-5-13-43(42)51-34-39(22-27-45(51)50(44)32-35)37-19-23-40(24-20-37)60-52-16-8-6-15-48(52)56-53(60)31-29-49-57-54(30-28-47-46-14-7-9-17-55(46)62-59(47)57)61(58(49)56)41-25-21-36-10-2-3-11-38(36)33-41/h2-31,33-35H,32H2,1H3.
What are the key properties of 24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-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-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-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 790.97 g/mol, XLogP of 16.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-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 126677998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).