10-phenyl-16-oxa-10,14,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene

C25H15N3O — CID 140947951

IUPAC10-phenyl-16-oxa-10,14,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)nc2oc3ccccc3n24)cc1
InChIInChI=1S/C25H15N3O/c1-2-8-16(9-3-1)27-20-11-5-4-10-17(20)18-14-23-19(15-22(18)27)26-25-28(23)21-12-6-7-13-24(21)29-25/h1-15H
InChIKeySECLFYIBALWBAB-UHFFFAOYSA-N
MW373.42 g/mol
LogP6.33
Rot. Bonds1

About 10-phenyl-16-oxa-10,14,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene

10-phenyl-16-oxa-10,14,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene (PubChem CID 140947951) has the molecular formula C25H15N3O and a molecular weight of 373.42 g/mol. Its IUPAC name is 10-phenyl-16-oxa-10,14,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene.

Molecular Properties

Compound Name10-phenyl-16-oxa-10,14,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene
PubChem CID140947951
Molecular FormulaC25H15N3O
Molecular Weight373.42 g/mol
Exact Mass373.12
IUPAC Name10-phenyl-16-oxa-10,14,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)nc2oc3ccccc3n24)cc1
InChIInChI=1S/C25H15N3O/c1-2-8-16(9-3-1)27-20-11-5-4-10-17(20)18-14-23-19(15-22(18)27)26-25-28(23)21-12-6-7-13-24(21)29-25/h1-15H
InChIKeySECLFYIBALWBAB-UHFFFAOYSA-N
XLogP6.33
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-phenyl-16-oxa-10,14,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene with MolForge

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Related Compounds

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2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one
CID 118531831

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-16-oxa-10,14,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene?
The IUPAC name of 10-phenyl-16-oxa-10,14,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene (CID 140947951) is 10-phenyl-16-oxa-10,14,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene.
What is the SMILES notation for 10-phenyl-16-oxa-10,14,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene?
The canonical SMILES for 10-phenyl-16-oxa-10,14,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene is c1ccc(-n2c3ccccc3c3cc4c(cc32)nc2oc3ccccc3n24)cc1.
What is the InChIKey of 10-phenyl-16-oxa-10,14,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene?
The InChIKey is SECLFYIBALWBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N3O/c1-2-8-16(9-3-1)27-20-11-5-4-10-17(20)18-14-23-19(15-22(18)27)26-25-28(23)21-12-6-7-13-24(21)29-25/h1-15H.
What are the key properties of 10-phenyl-16-oxa-10,14,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene?
10-phenyl-16-oxa-10,14,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene has a molecular weight of 373.42 g/mol, XLogP of 6.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-16-oxa-10,14,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,14,17,19,21-decaene is sourced from PubChem (CID 140947951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).