26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene

C48H29NO — CID 118361069

IUPAC26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc5c6ccccc6c6cc7c(cc6c5cc43)oc3ccccc37)c2)cc1
InChIInChI=1S/C48H29NO/c1-3-12-30(13-4-1)32-16-11-17-34(24-32)49-45-23-22-33(31-14-5-2-6-15-31)25-42(45)43-26-38-35-18-7-8-19-36(35)39-27-44-37-20-9-10-21-47(37)50-48(44)29-41(39)40(38)28-46(43)49/h1-29H
InChIKeyFLYNXURVEINXPZ-UHFFFAOYSA-N
MW635.77 g/mol
LogP13.48
Rot. Bonds3

About 26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene

26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene (PubChem CID 118361069) has the molecular formula C48H29NO and a molecular weight of 635.77 g/mol. Its IUPAC name is 26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene.

Molecular Properties

Compound Name26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene
PubChem CID118361069
Molecular FormulaC48H29NO
Molecular Weight635.77 g/mol
Exact Mass635.22
IUPAC Name26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc5c6ccccc6c6cc7c(cc6c5cc43)oc3ccccc37)c2)cc1
InChIInChI=1S/C48H29NO/c1-3-12-30(13-4-1)32-16-11-17-34(24-32)49-45-23-22-33(31-14-5-2-6-15-31)25-42(45)43-26-38-35-18-7-8-19-36(35)39-27-44-37-20-9-10-21-47(37)50-48(44)29-41(39)40(38)28-46(43)49/h1-29H
InChIKeyFLYNXURVEINXPZ-UHFFFAOYSA-N
XLogP13.48
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.77
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene?
The IUPAC name of 26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene (CID 118361069) is 26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene.
What is the SMILES notation for 26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene?
The canonical SMILES for 26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene is c1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc5c6ccccc6c6cc7c(cc6c5cc43)oc3ccccc37)c2)cc1.
What is the InChIKey of 26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene?
The InChIKey is FLYNXURVEINXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO/c1-3-12-30(13-4-1)32-16-11-17-34(24-32)49-45-23-22-33(31-14-5-2-6-15-31)25-42(45)43-26-38-35-18-7-8-19-36(35)39-27-44-37-20-9-10-21-47(37)50-48(44)29-41(39)40(38)28-46(43)49/h1-29H.
What are the key properties of 26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene?
26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene has a molecular weight of 635.77 g/mol, XLogP of 13.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene is sourced from PubChem (CID 118361069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).