5-methyl-7-azahexacyclo[16.3.1.116,20.02,15.03,12.06,11]tricosa-2(15),3(12),4,6(11),7,9,13-heptaene

C23H23N — CID 134249762

IUPAC5-methyl-7-azahexacyclo[16.3.1.116,20.02,15.03,12.06,11]tricosa-2(15),3(12),4,6(11),7,9,13-heptaene
SMILESCc1cc2c3c(ccc2c2cccnc12)C1CC2CC(C1)CC3C2
InChIInChI=1S/C23H23N/c1-13-7-21-19(20-3-2-6-24-23(13)20)5-4-18-16-9-14-8-15(10-16)12-17(11-14)22(18)21/h2-7,14-17H,8-12H2,1H3
InChIKeyNCYOQTMZOMMGBN-UHFFFAOYSA-N
MW313.44 g/mol
LogP6.09
Rot. Bonds

About 5-methyl-7-azahexacyclo[16.3.1.116,20.02,15.03,12.06,11]tricosa-2(15),3(12),4,6(11),7,9,13-heptaene

5-methyl-7-azahexacyclo[16.3.1.116,20.02,15.03,12.06,11]tricosa-2(15),3(12),4,6(11),7,9,13-heptaene (PubChem CID 134249762) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 5-methyl-7-azahexacyclo[16.3.1.116,20.02,15.03,12.06,11]tricosa-2(15),3(12),4,6(11),7,9,13-heptaene.

Molecular Properties

Compound Name5-methyl-7-azahexacyclo[16.3.1.116,20.02,15.03,12.06,11]tricosa-2(15),3(12),4,6(11),7,9,13-heptaene
PubChem CID134249762
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name5-methyl-7-azahexacyclo[16.3.1.116,20.02,15.03,12.06,11]tricosa-2(15),3(12),4,6(11),7,9,13-heptaene
SMILESCc1cc2c3c(ccc2c2cccnc12)C1CC2CC(C1)CC3C2
InChIInChI=1S/C23H23N/c1-13-7-21-19(20-3-2-6-24-23(13)20)5-4-18-16-9-14-8-15(10-16)12-17(11-14)22(18)21/h2-7,14-17H,8-12H2,1H3
InChIKeyNCYOQTMZOMMGBN-UHFFFAOYSA-N
XLogP6.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-azahexacyclo[16.3.1.116,20.02,15.03,12.06,11]tricosa-2(15),3(12),4,6(11),7,9,13-heptaene?
The IUPAC name of 5-methyl-7-azahexacyclo[16.3.1.116,20.02,15.03,12.06,11]tricosa-2(15),3(12),4,6(11),7,9,13-heptaene (CID 134249762) is 5-methyl-7-azahexacyclo[16.3.1.116,20.02,15.03,12.06,11]tricosa-2(15),3(12),4,6(11),7,9,13-heptaene.
What is the SMILES notation for 5-methyl-7-azahexacyclo[16.3.1.116,20.02,15.03,12.06,11]tricosa-2(15),3(12),4,6(11),7,9,13-heptaene?
The canonical SMILES for 5-methyl-7-azahexacyclo[16.3.1.116,20.02,15.03,12.06,11]tricosa-2(15),3(12),4,6(11),7,9,13-heptaene is Cc1cc2c3c(ccc2c2cccnc12)C1CC2CC(C1)CC3C2.
What is the InChIKey of 5-methyl-7-azahexacyclo[16.3.1.116,20.02,15.03,12.06,11]tricosa-2(15),3(12),4,6(11),7,9,13-heptaene?
The InChIKey is NCYOQTMZOMMGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-13-7-21-19(20-3-2-6-24-23(13)20)5-4-18-16-9-14-8-15(10-16)12-17(11-14)22(18)21/h2-7,14-17H,8-12H2,1H3.
What are the key properties of 5-methyl-7-azahexacyclo[16.3.1.116,20.02,15.03,12.06,11]tricosa-2(15),3(12),4,6(11),7,9,13-heptaene?
5-methyl-7-azahexacyclo[16.3.1.116,20.02,15.03,12.06,11]tricosa-2(15),3(12),4,6(11),7,9,13-heptaene has a molecular weight of 313.44 g/mol, XLogP of 6.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-azahexacyclo[16.3.1.116,20.02,15.03,12.06,11]tricosa-2(15),3(12),4,6(11),7,9,13-heptaene is sourced from PubChem (CID 134249762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).