22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene

C26H16N4 — CID 163431296

IUPAC22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5cccnc5c5nccn5c4cc32)cc1
InChIInChI=1S/C26H16N4/c1-2-7-17(8-3-1)30-22-11-5-4-9-18(22)20-15-21-19-10-6-12-27-25(19)26-28-13-14-29(26)23(21)16-24(20)30/h1-16H
InChIKeyDJMWFCMDKCGHNO-UHFFFAOYSA-N
MW384.44 g/mol
LogP6.13
Rot. Bonds1

About 22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene

22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene (PubChem CID 163431296) has the molecular formula C26H16N4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene.

Molecular Properties

Compound Name22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene
PubChem CID163431296
Molecular FormulaC26H16N4
Molecular Weight384.44 g/mol
Exact Mass384.14
IUPAC Name22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5cccnc5c5nccn5c4cc32)cc1
InChIInChI=1S/C26H16N4/c1-2-7-17(8-3-1)30-22-11-5-4-9-18(22)20-15-21-19-10-6-12-27-25(19)26-28-13-14-29(26)23(21)16-24(20)30/h1-16H
InChIKeyDJMWFCMDKCGHNO-UHFFFAOYSA-N
XLogP6.13
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene with MolForge

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

Launch Full Analysis

Related Compounds

23-phenyl-6,9,23-triazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene
CID 140956768
23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 140956310
18,22-diphenyl-3,6,9,18,22-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,23,25,27,29-tetradecaene;18,23-diphenyl-3,6,9,18,23-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.024,29]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),24,26,28-tetradecaene;18,28-diphenyl-3,6,9,18,28-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22,24,26,29-tetradecaene;18,29-diphenyl-3,6,9,18,29-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.019,31.022,30.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,19(31),20,22(30),23,25,27-tetradecaene
CID 163779506
18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene
CID 159099860
28,31-diphenyl-7,10,13,28,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,18(30),19,21(29),22,24,26-tetradecaene
CID 163822226
16-phenyl-9-[(16-phenyl-2,5,16-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaen-9-yl)oxy]-2,5,16-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene
CID 162487214
18,28-diphenyl-5,8,12,18,28-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,22,24,26,29-tetradecaene
CID 157379128
10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14-phenyl-8,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 140952311
28,31-diphenyl-4,10,13,28,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,18(30),19,21(29),22,24,26-tetradecaene
CID 163427865
27,31-diphenyl-6,10,13,27,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,18(30),19,21,23,25,28-tetradecaene
CID 163894059
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
9-phenylpyrido[2,3-b]indole
CID 15939260

Frequently Asked Questions

What is the IUPAC name of 22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene?
The IUPAC name of 22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene (CID 163431296) is 22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene.
What is the SMILES notation for 22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene?
The canonical SMILES for 22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene is c1ccc(-n2c3ccccc3c3cc4c5cccnc5c5nccn5c4cc32)cc1.
What is the InChIKey of 22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene?
The InChIKey is DJMWFCMDKCGHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N4/c1-2-7-17(8-3-1)30-22-11-5-4-9-18(22)20-15-21-19-10-6-12-27-25(19)26-28-13-14-29(26)23(21)16-24(20)30/h1-16H.
What are the key properties of 22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene?
22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene has a molecular weight of 384.44 g/mol, XLogP of 6.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene is sourced from PubChem (CID 163431296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).