17-methyl-12,13-diphenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene

C30H22N2 — CID 118933072

IUPAC17-methyl-12,13-diphenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene
SMILESCc1ccc2c3c1c1ccccc1c1ncc(n13)C(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C30H22N2/c1-19-16-17-24-27(20-10-4-2-5-11-20)28(21-12-6-3-7-13-21)25-18-31-30-23-15-9-8-14-22(23)26(19)29(24)32(25)30/h2-18,27-28H,1H3
InChIKeyCPCUHDJDWTWSBU-UHFFFAOYSA-N
MW410.52 g/mol
LogP7.23
Rot. Bonds2

About 17-methyl-12,13-diphenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene

17-methyl-12,13-diphenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene (PubChem CID 118933072) has the molecular formula C30H22N2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 17-methyl-12,13-diphenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene.

Molecular Properties

Compound Name17-methyl-12,13-diphenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene
PubChem CID118933072
Molecular FormulaC30H22N2
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC Name17-methyl-12,13-diphenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene
SMILESCc1ccc2c3c1c1ccccc1c1ncc(n13)C(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C30H22N2/c1-19-16-17-24-27(20-10-4-2-5-11-20)28(21-12-6-3-7-13-21)25-18-31-30-23-15-9-8-14-22(23)26(19)29(24)32(25)30/h2-18,27-28H,1H3
InChIKeyCPCUHDJDWTWSBU-UHFFFAOYSA-N
XLogP7.23
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 17-methyl-12,13-diphenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 17-methyl-12,13-diphenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?
The IUPAC name of 17-methyl-12,13-diphenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene (CID 118933072) is 17-methyl-12,13-diphenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene.
What is the SMILES notation for 17-methyl-12,13-diphenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?
The canonical SMILES for 17-methyl-12,13-diphenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene is Cc1ccc2c3c1c1ccccc1c1ncc(n13)C(c1ccccc1)C2c1ccccc1.
What is the InChIKey of 17-methyl-12,13-diphenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?
The InChIKey is CPCUHDJDWTWSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2/c1-19-16-17-24-27(20-10-4-2-5-11-20)28(21-12-6-3-7-13-21)25-18-31-30-23-15-9-8-14-22(23)26(19)29(24)32(25)30/h2-18,27-28H,1H3.
What are the key properties of 17-methyl-12,13-diphenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?
17-methyl-12,13-diphenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene has a molecular weight of 410.52 g/mol, XLogP of 7.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-12,13-diphenyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene is sourced from PubChem (CID 118933072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).