15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-10-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene

C47H29N3O — CID 118546119

IUPAC15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-10-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc6c7c8c(ccc7n(-c7ccccc7)c6cc54)oc4ccccc48)cc3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-12-30(13-4-1)38-18-11-19-39(48-38)31-22-24-33(25-23-31)49-40-20-9-7-16-34(40)36-28-37-43(29-42(36)49)50(32-14-5-2-6-15-32)41-26-27-45-47(46(37)41)35-17-8-10-21-44(35)51-45/h1-29H
InChIKeyXDEKPJWXGZPJFP-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.51
Rot. Bonds4

About 15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-10-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene

15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-10-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene (PubChem CID 118546119) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-10-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene.

Molecular Properties

Compound Name15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-10-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
PubChem CID118546119
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-10-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
SMILESc1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc6c7c8c(ccc7n(-c7ccccc7)c6cc54)oc4ccccc48)cc3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-12-30(13-4-1)38-18-11-19-39(48-38)31-22-24-33(25-23-31)49-40-20-9-7-16-34(40)36-28-37-43(29-42(36)49)50(32-14-5-2-6-15-32)41-26-27-45-47(46(37)41)35-17-8-10-21-44(35)51-45/h1-29H
InChIKeyXDEKPJWXGZPJFP-UHFFFAOYSA-N
XLogP12.51
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-10-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-10-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene?
The IUPAC name of 15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-10-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene (CID 118546119) is 15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-10-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene.
What is the SMILES notation for 15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-10-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene?
The canonical SMILES for 15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-10-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene is c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5cc6c7c8c(ccc7n(-c7ccccc7)c6cc54)oc4ccccc48)cc3)n2)cc1.
What is the InChIKey of 15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-10-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene?
The InChIKey is XDEKPJWXGZPJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-12-30(13-4-1)38-18-11-19-39(48-38)31-22-24-33(25-23-31)49-40-20-9-7-16-34(40)36-28-37-43(29-42(36)49)50(32-14-5-2-6-15-32)41-26-27-45-47(46(37)41)35-17-8-10-21-44(35)51-45/h1-29H.
What are the key properties of 15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-10-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene?
15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-10-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene has a molecular weight of 651.77 g/mol, XLogP of 12.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-19-[4-(6-phenyl-2-pyridinyl)phenyl]-10-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 118546119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).