11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

C51H33N3O — CID 118546060

IUPAC11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
SMILESC1=C(c2ccccc2)c2ccccc2NC1c1cccc(-n2c3cc4c(cc3c3ccc5c6ccccc6oc5c32)c2ccccc2n4-c2ccccc2)c1
InChIInChI=1S/C51H33N3O/c1-3-14-32(15-4-1)41-30-45(52-44-23-10-7-20-36(41)44)33-16-13-19-35(28-33)54-48-31-47-42(37-21-8-11-24-46(37)53(47)34-17-5-2-6-18-34)29-43(48)39-26-27-40-38-22-9-12-25-49(38)55-51(40)50(39)54/h1-31,45,52H
InChIKeyONRDSCDXONOMJR-UHFFFAOYSA-N
MW703.85 g/mol
LogP13.38
Rot. Bonds4

About 11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene (PubChem CID 118546060) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene.

Molecular Properties

Compound Name11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
PubChem CID118546060
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
SMILESC1=C(c2ccccc2)c2ccccc2NC1c1cccc(-n2c3cc4c(cc3c3ccc5c6ccccc6oc5c32)c2ccccc2n4-c2ccccc2)c1
InChIInChI=1S/C51H33N3O/c1-3-14-32(15-4-1)41-30-45(52-44-23-10-7-20-36(41)44)33-16-13-19-35(28-33)54-48-31-47-42(37-21-8-11-24-46(37)53(47)34-17-5-2-6-18-34)29-43(48)39-26-27-40-38-22-9-12-25-49(38)55-51(40)50(39)54/h1-31,45,52H
InChIKeyONRDSCDXONOMJR-UHFFFAOYSA-N
XLogP13.38
TPSA35.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 513.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene with MolForge

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Related Compounds

11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-15-phenyl-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 126678107
5-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-15-phenyl-18-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 126677982
15-phenyl-11-[4-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
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3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223766
15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 129141926
11-phenyl-15-(4-phenyl-2,4-dihydro-1H-quinazolin-3-id-2-yl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 144969800
11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 161096514
7-[4-[4-[2-[4-[3-[9-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-7-phenylcarbazol-2-yl]phenyl]phenyl]-7-phenylcarbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
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CID 118502601
5-(3-dibenzofuran-4-ylphenyl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 171414718
7-dibenzofuran-4-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828575

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?
The IUPAC name of 11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene (CID 118546060) is 11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene.
What is the SMILES notation for 11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?
The canonical SMILES for 11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene is C1=C(c2ccccc2)c2ccccc2NC1c1cccc(-n2c3cc4c(cc3c3ccc5c6ccccc6oc5c32)c2ccccc2n4-c2ccccc2)c1.
What is the InChIKey of 11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?
The InChIKey is ONRDSCDXONOMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-3-14-32(15-4-1)41-30-45(52-44-23-10-7-20-36(41)44)33-16-13-19-35(28-33)54-48-31-47-42(37-21-8-11-24-46(37)53(47)34-17-5-2-6-18-34)29-43(48)39-26-27-40-38-22-9-12-25-49(38)55-51(40)50(39)54/h1-31,45,52H.
What are the key properties of 11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?
11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene has a molecular weight of 703.85 g/mol, XLogP of 13.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-15-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 118546060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).