23-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9(24),10,12,15,17,19,21-decaene

C23H17N — CID 174152524

IUPAC23-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9(24),10,12,15,17,19,21-decaene
SMILESc1ccc2c(c1)Cc1cccc3c1C2n1c(cc2ccccc21)C3
InChIInChI=1S/C23H17N/c1-3-10-20-15(6-1)12-17-8-5-9-18-14-19-13-16-7-2-4-11-21(16)24(19)23(20)22(17)18/h1-11,13,23H,12,14H2
InChIKeyZUSVWNFRBBSPSC-UHFFFAOYSA-N
MW307.40 g/mol
LogP5.09
Rot. Bonds

About 23-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9(24),10,12,15,17,19,21-decaene

23-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9(24),10,12,15,17,19,21-decaene (PubChem CID 174152524) has the molecular formula C23H17N and a molecular weight of 307.40 g/mol. Its IUPAC name is 23-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9(24),10,12,15,17,19,21-decaene.

Molecular Properties

Compound Name23-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9(24),10,12,15,17,19,21-decaene
PubChem CID174152524
Molecular FormulaC23H17N
Molecular Weight307.40 g/mol
Exact Mass307.14
IUPAC Name23-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9(24),10,12,15,17,19,21-decaene
SMILESc1ccc2c(c1)Cc1cccc3c1C2n1c(cc2ccccc21)C3
InChIInChI=1S/C23H17N/c1-3-10-20-15(6-1)12-17-8-5-9-18-14-19-13-16-7-2-4-11-21(16)24(19)23(20)22(17)18/h1-11,13,23H,12,14H2
InChIKeyZUSVWNFRBBSPSC-UHFFFAOYSA-N
XLogP5.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 23-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9(24),10,12,15,17,19,21-decaene?
The IUPAC name of 23-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9(24),10,12,15,17,19,21-decaene (CID 174152524) is 23-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9(24),10,12,15,17,19,21-decaene.
What is the SMILES notation for 23-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9(24),10,12,15,17,19,21-decaene?
The canonical SMILES for 23-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9(24),10,12,15,17,19,21-decaene is c1ccc2c(c1)Cc1cccc3c1C2n1c(cc2ccccc21)C3.
What is the InChIKey of 23-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9(24),10,12,15,17,19,21-decaene?
The InChIKey is ZUSVWNFRBBSPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N/c1-3-10-20-15(6-1)12-17-8-5-9-18-14-19-13-16-7-2-4-11-21(16)24(19)23(20)22(17)18/h1-11,13,23H,12,14H2.
What are the key properties of 23-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9(24),10,12,15,17,19,21-decaene?
23-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9(24),10,12,15,17,19,21-decaene has a molecular weight of 307.40 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 23-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9(24),10,12,15,17,19,21-decaene is sourced from PubChem (CID 174152524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).