7-methyl-22-(3-naphthalen-1-ylphenyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene

C37H27NO — CID 129310937

IUPAC7-methyl-22-(3-naphthalen-1-ylphenyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene
SMILESCC12C=CC=CC1c1c(c3ccccc3n1-c1cccc(-c3cccc4ccccc34)c1)-c1ccccc1O2
InChIInChI=1S/C37H27NO/c1-37-23-9-8-20-32(37)36-35(31-18-5-7-22-34(31)39-37)30-17-4-6-21-33(30)38(36)27-15-10-14-26(24-27)29-19-11-13-25-12-2-3-16-28(25)29/h2-24,32H,1H3
InChIKeyURUAODOMAIMKPY-UHFFFAOYSA-N
MW501.63 g/mol
LogP9.48
Rot. Bonds2

About 7-methyl-22-(3-naphthalen-1-ylphenyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene

7-methyl-22-(3-naphthalen-1-ylphenyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene (PubChem CID 129310937) has the molecular formula C37H27NO and a molecular weight of 501.63 g/mol. Its IUPAC name is 7-methyl-22-(3-naphthalen-1-ylphenyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene.

Molecular Properties

Compound Name7-methyl-22-(3-naphthalen-1-ylphenyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene
PubChem CID129310937
Molecular FormulaC37H27NO
Molecular Weight501.63 g/mol
Exact Mass501.21
IUPAC Name7-methyl-22-(3-naphthalen-1-ylphenyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene
SMILESCC12C=CC=CC1c1c(c3ccccc3n1-c1cccc(-c3cccc4ccccc34)c1)-c1ccccc1O2
InChIInChI=1S/C37H27NO/c1-37-23-9-8-20-32(37)36-35(31-18-5-7-22-34(31)39-37)30-17-4-6-21-33(30)38(36)27-15-10-14-26(24-27)29-19-11-13-25-12-2-3-16-28(25)29/h2-24,32H,1H3
InChIKeyURUAODOMAIMKPY-UHFFFAOYSA-N
XLogP9.48
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methyl-22-(3-naphthalen-1-ylphenyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-22-(3-naphthalen-1-ylphenyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene?
The IUPAC name of 7-methyl-22-(3-naphthalen-1-ylphenyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene (CID 129310937) is 7-methyl-22-(3-naphthalen-1-ylphenyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene.
What is the SMILES notation for 7-methyl-22-(3-naphthalen-1-ylphenyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene?
The canonical SMILES for 7-methyl-22-(3-naphthalen-1-ylphenyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene is CC12C=CC=CC1c1c(c3ccccc3n1-c1cccc(-c3cccc4ccccc34)c1)-c1ccccc1O2.
What is the InChIKey of 7-methyl-22-(3-naphthalen-1-ylphenyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene?
The InChIKey is URUAODOMAIMKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NO/c1-37-23-9-8-20-32(37)36-35(31-18-5-7-22-34(31)39-37)30-17-4-6-21-33(30)38(36)27-15-10-14-26(24-27)29-19-11-13-25-12-2-3-16-28(25)29/h2-24,32H,1H3.
What are the key properties of 7-methyl-22-(3-naphthalen-1-ylphenyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene?
7-methyl-22-(3-naphthalen-1-ylphenyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene has a molecular weight of 501.63 g/mol, XLogP of 9.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-22-(3-naphthalen-1-ylphenyl)-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene is sourced from PubChem (CID 129310937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).