15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

C55H34N2O — CID 118546032

IUPAC15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
SMILESc1ccc(-n2c3cc4oc5ccccc5c4cc3c3cc4c5ccccc5n(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c4cc32)cc1
InChIInChI=1S/C55H34N2O/c1-3-16-35(17-4-1)55(47-26-11-7-22-39(47)40-23-8-12-27-48(40)55)36-18-15-21-38(30-36)57-49-28-13-9-24-41(49)43-31-44-45-32-46-42-25-10-14-29-53(42)58-54(46)34-52(45)56(51(44)33-50(43)57)37-19-5-2-6-20-37/h1-34H
InChIKeyISRAXHDUJJBSJD-UHFFFAOYSA-N
MW738.89 g/mol
LogP14.14
Rot. Bonds4

About 15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (PubChem CID 118546032) has the molecular formula C55H34N2O and a molecular weight of 738.89 g/mol. Its IUPAC name is 15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.

Molecular Properties

Compound Name15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
PubChem CID118546032
Molecular FormulaC55H34N2O
Molecular Weight738.89 g/mol
Exact Mass738.27
IUPAC Name15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
SMILESc1ccc(-n2c3cc4oc5ccccc5c4cc3c3cc4c5ccccc5n(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c4cc32)cc1
InChIInChI=1S/C55H34N2O/c1-3-16-35(17-4-1)55(47-26-11-7-22-39(47)40-23-8-12-27-48(40)55)36-18-15-21-38(30-36)57-49-28-13-9-24-41(49)43-31-44-45-32-46-42-25-10-14-29-53(42)58-54(46)34-52(45)56(51(44)33-50(43)57)37-19-5-2-6-20-37/h1-34H
InChIKeyISRAXHDUJJBSJD-UHFFFAOYSA-N
XLogP14.14
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene with MolForge

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Related Compounds

15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118546078
methane;9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 158348177
N-dibenzofuran-3-yl-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264393
11-(9,9-diphenylfluoren-2-yl)-15-phenyl-24-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;15-phenyl-11-[4-(9-phenylfluoren-9-yl)phenyl]-24-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 160861313
3-(3-dibenzofuran-2-ylphenyl)-9-(9,9-diphenylfluoren-3-yl)carbazole
CID 137466613
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 137401879
5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole
CID 169014518
2-[5-(9,9-dimethylfluoren-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[7,7-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[5-(9,9-diphenylfluoren-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 159407034
CID 134551634
CID 134551634
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
CID 134551686
CID 134551686
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The IUPAC name of 15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (CID 118546032) is 15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.
What is the SMILES notation for 15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The canonical SMILES for 15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is c1ccc(-n2c3cc4oc5ccccc5c4cc3c3cc4c5ccccc5n(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c4cc32)cc1.
What is the InChIKey of 15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
The InChIKey is ISRAXHDUJJBSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O/c1-3-16-35(17-4-1)55(47-26-11-7-22-39(47)40-23-8-12-27-48(40)55)36-18-15-21-38(30-36)57-49-28-13-9-24-41(49)43-31-44-45-32-46-42-25-10-14-29-53(42)58-54(46)34-52(45)56(51(44)33-50(43)57)37-19-5-2-6-20-37/h1-34H.
What are the key properties of 15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?
15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene has a molecular weight of 738.89 g/mol, XLogP of 14.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 118546032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).