(18Z,21Z)-14-azapentacyclo[15.5.1.03,15.04,13.07,12]tricosa-1,3(15),4(13),5,7,9,11,16,18,21-decaene;ethane

C24H23N — CID 142461131

IUPAC(18Z,21Z)-14-azapentacyclo[15.5.1.03,15.04,13.07,12]tricosa-1,3(15),4(13),5,7,9,11,16,18,21-decaene;ethane
SMILESC1=C2/C=C\C/C=C\C(=Cc3c1[nH]c1c3ccc3ccccc31)C2.CC
InChIInChI=1S/C22H17N.C2H6/c1-2-6-15-12-16(7-3-1)14-21-20(13-15)19-11-10-17-8-4-5-9-18(17)22(19)23-21;1-2/h2-11,13-14,23H,1,12H2;1-2H3/b6-2-,7-3-;
InChIKeyAZQASALBRJVTOD-GVTDOVSOSA-N
MW325.46 g/mol
LogP7.03
Rot. Bonds

About (18Z,21Z)-14-azapentacyclo[15.5.1.03,15.04,13.07,12]tricosa-1,3(15),4(13),5,7,9,11,16,18,21-decaene;ethane

(18Z,21Z)-14-azapentacyclo[15.5.1.03,15.04,13.07,12]tricosa-1,3(15),4(13),5,7,9,11,16,18,21-decaene;ethane (PubChem CID 142461131) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is (18Z,21Z)-14-azapentacyclo[15.5.1.03,15.04,13.07,12]tricosa-1,3(15),4(13),5,7,9,11,16,18,21-decaene;ethane.

Molecular Properties

Compound Name(18Z,21Z)-14-azapentacyclo[15.5.1.03,15.04,13.07,12]tricosa-1,3(15),4(13),5,7,9,11,16,18,21-decaene;ethane
PubChem CID142461131
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC Name(18Z,21Z)-14-azapentacyclo[15.5.1.03,15.04,13.07,12]tricosa-1,3(15),4(13),5,7,9,11,16,18,21-decaene;ethane
SMILESC1=C2/C=C\C/C=C\C(=Cc3c1[nH]c1c3ccc3ccccc31)C2.CC
InChIInChI=1S/C22H17N.C2H6/c1-2-6-15-12-16(7-3-1)14-21-20(13-15)19-11-10-17-8-4-5-9-18(17)22(19)23-21;1-2/h2-11,13-14,23H,1,12H2;1-2H3/b6-2-,7-3-;
InChIKeyAZQASALBRJVTOD-GVTDOVSOSA-N
XLogP7.03
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze (18Z,21Z)-14-azapentacyclo[15.5.1.03,15.04,13.07,12]tricosa-1,3(15),4(13),5,7,9,11,16,18,21-decaene;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (18Z,21Z)-14-azapentacyclo[15.5.1.03,15.04,13.07,12]tricosa-1,3(15),4(13),5,7,9,11,16,18,21-decaene;ethane?
The IUPAC name of (18Z,21Z)-14-azapentacyclo[15.5.1.03,15.04,13.07,12]tricosa-1,3(15),4(13),5,7,9,11,16,18,21-decaene;ethane (CID 142461131) is (18Z,21Z)-14-azapentacyclo[15.5.1.03,15.04,13.07,12]tricosa-1,3(15),4(13),5,7,9,11,16,18,21-decaene;ethane.
What is the SMILES notation for (18Z,21Z)-14-azapentacyclo[15.5.1.03,15.04,13.07,12]tricosa-1,3(15),4(13),5,7,9,11,16,18,21-decaene;ethane?
The canonical SMILES for (18Z,21Z)-14-azapentacyclo[15.5.1.03,15.04,13.07,12]tricosa-1,3(15),4(13),5,7,9,11,16,18,21-decaene;ethane is C1=C2/C=C\C/C=C\C(=Cc3c1[nH]c1c3ccc3ccccc31)C2.CC.
What is the InChIKey of (18Z,21Z)-14-azapentacyclo[15.5.1.03,15.04,13.07,12]tricosa-1,3(15),4(13),5,7,9,11,16,18,21-decaene;ethane?
The InChIKey is AZQASALBRJVTOD-GVTDOVSOSA-N. The full InChI is InChI=1S/C22H17N.C2H6/c1-2-6-15-12-16(7-3-1)14-21-20(13-15)19-11-10-17-8-4-5-9-18(17)22(19)23-21;1-2/h2-11,13-14,23H,1,12H2;1-2H3/b6-2-,7-3-;.
What are the key properties of (18Z,21Z)-14-azapentacyclo[15.5.1.03,15.04,13.07,12]tricosa-1,3(15),4(13),5,7,9,11,16,18,21-decaene;ethane?
(18Z,21Z)-14-azapentacyclo[15.5.1.03,15.04,13.07,12]tricosa-1,3(15),4(13),5,7,9,11,16,18,21-decaene;ethane has a molecular weight of 325.46 g/mol, XLogP of 7.03, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (18Z,21Z)-14-azapentacyclo[15.5.1.03,15.04,13.07,12]tricosa-1,3(15),4(13),5,7,9,11,16,18,21-decaene;ethane is sourced from PubChem (CID 142461131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).