19-naphthalen-2-yl-15-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

C40H24N2O — CID 118546122

IUPAC19-naphthalen-2-yl-15-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(-n2c3cc4c(cc3c3c5c(ccc32)oc2ccccc25)c2ccccc2n4-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C40H24N2O/c1-2-12-27(13-3-1)41-34-20-21-38-40(30-15-7-9-17-37(30)43-38)39(34)32-23-31-29-14-6-8-16-33(29)42(35(31)24-36(32)41)28-19-18-25-10-4-5-11-26(25)22-28/h1-24H
InChIKeyWJKGSQMJLYQWQV-UHFFFAOYSA-N
MW548.65 g/mol
LogP10.93
Rot. Bonds2

About 19-naphthalen-2-yl-15-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

19-naphthalen-2-yl-15-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 118546122) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 19-naphthalen-2-yl-15-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 Name19-naphthalen-2-yl-15-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 CID118546122
Molecular FormulaC40H24N2O
Molecular Weight548.65 g/mol
Exact Mass548.19
IUPAC Name19-naphthalen-2-yl-15-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(-n2c3cc4c(cc3c3c5c(ccc32)oc2ccccc25)c2ccccc2n4-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C40H24N2O/c1-2-12-27(13-3-1)41-34-20-21-38-40(30-15-7-9-17-37(30)43-38)39(34)32-23-31-29-14-6-8-16-33(29)42(35(31)24-36(32)41)28-19-18-25-10-4-5-11-26(25)22-28/h1-24H
InChIKeyWJKGSQMJLYQWQV-UHFFFAOYSA-N
XLogP10.93
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 19-naphthalen-2-yl-15-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 19-naphthalen-2-yl-15-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 19-naphthalen-2-yl-15-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 118546122) is 19-naphthalen-2-yl-15-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 19-naphthalen-2-yl-15-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 19-naphthalen-2-yl-15-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(-n2c3cc4c(cc3c3c5c(ccc32)oc2ccccc25)c2ccccc2n4-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 19-naphthalen-2-yl-15-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 WJKGSQMJLYQWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-2-12-27(13-3-1)41-34-20-21-38-40(30-15-7-9-17-37(30)43-38)39(34)32-23-31-29-14-6-8-16-33(29)42(35(31)24-36(32)41)28-19-18-25-10-4-5-11-26(25)22-28/h1-24H.
What are the key properties of 19-naphthalen-2-yl-15-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?
19-naphthalen-2-yl-15-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 548.65 g/mol, XLogP of 10.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-naphthalen-2-yl-15-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 118546122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).