4,6-dimethyl-10-phenyl-8,9,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,9,11(19),12,14(18),15-nonaene

C24H17N3 — CID 170236552

IUPAC4,6-dimethyl-10-phenyl-8,9,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,9,11(19),12,14(18),15-nonaene
SMILESCc1cc(C)c2c(c1)c1nccc3ccc4c(-c5ccccc5)nn2c4c31
InChIInChI=1S/C24H17N3/c1-14-12-15(2)23-19(13-14)22-20-16(10-11-25-22)8-9-18-21(26-27(23)24(18)20)17-6-4-3-5-7-17/h3-13H,1-2H3
InChIKeyAHQLIDWZRJGNNU-UHFFFAOYSA-N
MW347.42 g/mol
LogP5.91
Rot. Bonds1

About 4,6-dimethyl-10-phenyl-8,9,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,9,11(19),12,14(18),15-nonaene

4,6-dimethyl-10-phenyl-8,9,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,9,11(19),12,14(18),15-nonaene (PubChem CID 170236552) has the molecular formula C24H17N3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4,6-dimethyl-10-phenyl-8,9,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,9,11(19),12,14(18),15-nonaene.

Molecular Properties

Compound Name4,6-dimethyl-10-phenyl-8,9,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,9,11(19),12,14(18),15-nonaene
PubChem CID170236552
Molecular FormulaC24H17N3
Molecular Weight347.42 g/mol
Exact Mass347.14
IUPAC Name4,6-dimethyl-10-phenyl-8,9,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,9,11(19),12,14(18),15-nonaene
SMILESCc1cc(C)c2c(c1)c1nccc3ccc4c(-c5ccccc5)nn2c4c31
InChIInChI=1S/C24H17N3/c1-14-12-15(2)23-19(13-14)22-20-16(10-11-25-22)8-9-18-21(26-27(23)24(18)20)17-6-4-3-5-7-17/h3-13H,1-2H3
InChIKeyAHQLIDWZRJGNNU-UHFFFAOYSA-N
XLogP5.91
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,6-dimethyl-10-phenyl-8,9,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,9,11(19),12,14(18),15-nonaene with MolForge

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Related Compounds

3,5,20-trimethyl-14-phenyl-1,9-diazahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaene
CID 170231475
17-tert-butyl-3,5-dimethyl-1,9-diazahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16,18,20-undecaene
CID 170231492
21,24-dimethyl-4-phenyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2(7),3,5,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene
CID 170233569
20,24-dimethyl-4-phenyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2(7),3,5,8(26),9,11(27),12,14,16(25),17,19,21,23-tridecaene
CID 170233692
2,4,8-trimethyl-6-phenylphenanthridine
CID 122225138
8-methyl-1-phenylnaphtho[2,1-f]isoquinoline
CID 118595090
10-phenyl-9,11,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8(19),9,12,14(18),15-nonaene
CID 10087308
2-phenyl-3-(2,4,6-trimethylphenyl)-1,10-phenanthroline
CID 175385817
22,24-dimethyl-9-phenyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene
CID 170232828
2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline
CID 58813339
18-tert-butyl-1,9-diazahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaene
CID 169015236
12,14,21-triazahexacyclo[10.9.2.02,11.04,9.015,23.018,22]tricosa-1(21),2,4,6,8,10,13,15(23),16,18(22),19-undecaene
CID 170236585

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-10-phenyl-8,9,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,9,11(19),12,14(18),15-nonaene?
The IUPAC name of 4,6-dimethyl-10-phenyl-8,9,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,9,11(19),12,14(18),15-nonaene (CID 170236552) is 4,6-dimethyl-10-phenyl-8,9,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,9,11(19),12,14(18),15-nonaene.
What is the SMILES notation for 4,6-dimethyl-10-phenyl-8,9,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,9,11(19),12,14(18),15-nonaene?
The canonical SMILES for 4,6-dimethyl-10-phenyl-8,9,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,9,11(19),12,14(18),15-nonaene is Cc1cc(C)c2c(c1)c1nccc3ccc4c(-c5ccccc5)nn2c4c31.
What is the InChIKey of 4,6-dimethyl-10-phenyl-8,9,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,9,11(19),12,14(18),15-nonaene?
The InChIKey is AHQLIDWZRJGNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3/c1-14-12-15(2)23-19(13-14)22-20-16(10-11-25-22)8-9-18-21(26-27(23)24(18)20)17-6-4-3-5-7-17/h3-13H,1-2H3.
What are the key properties of 4,6-dimethyl-10-phenyl-8,9,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,9,11(19),12,14(18),15-nonaene?
4,6-dimethyl-10-phenyl-8,9,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,9,11(19),12,14(18),15-nonaene has a molecular weight of 347.42 g/mol, XLogP of 5.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-10-phenyl-8,9,17-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,9,11(19),12,14(18),15-nonaene is sourced from PubChem (CID 170236552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).