25,25-dimethyl-1,3,14,20,34-pentazadecacyclo[17.16.1.02,14.04,13.06,11.015,36.020,35.021,33.024,32.026,31]hexatriaconta-2,4,6,8,10,12,15,17,19(36),21(33),22,24(32),26,28,30,34-hexadecaene

C33H21N5 — CID 146651882

IUPAC25,25-dimethyl-1,3,14,20,34-pentazadecacyclo[17.16.1.02,14.04,13.06,11.015,36.020,35.021,33.024,32.026,31]hexatriaconta-2,4,6,8,10,12,15,17,19(36),21(33),22,24(32),26,28,30,34-hexadecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c2nc2n1c1cccc3c1n2c1nc2cc4ccccc4cc2n31
InChIInChI=1S/C33H21N5/c1-33(2)21-11-6-5-10-20(21)28-22(33)14-15-24-29(28)35-32-36(24)25-12-7-13-26-30(25)38(32)31-34-23-16-18-8-3-4-9-19(18)17-27(23)37(26)31/h3-17H,1-2H3
InChIKeyHWOJHZQCDVQYSC-UHFFFAOYSA-N
MW487.57 g/mol
LogP7.59
Rot. Bonds

About 25,25-dimethyl-1,3,14,20,34-pentazadecacyclo[17.16.1.02,14.04,13.06,11.015,36.020,35.021,33.024,32.026,31]hexatriaconta-2,4,6,8,10,12,15,17,19(36),21(33),22,24(32),26,28,30,34-hexadecaene

25,25-dimethyl-1,3,14,20,34-pentazadecacyclo[17.16.1.02,14.04,13.06,11.015,36.020,35.021,33.024,32.026,31]hexatriaconta-2,4,6,8,10,12,15,17,19(36),21(33),22,24(32),26,28,30,34-hexadecaene (PubChem CID 146651882) has the molecular formula C33H21N5 and a molecular weight of 487.57 g/mol. Its IUPAC name is 25,25-dimethyl-1,3,14,20,34-pentazadecacyclo[17.16.1.02,14.04,13.06,11.015,36.020,35.021,33.024,32.026,31]hexatriaconta-2,4,6,8,10,12,15,17,19(36),21(33),22,24(32),26,28,30,34-hexadecaene.

Molecular Properties

Compound Name25,25-dimethyl-1,3,14,20,34-pentazadecacyclo[17.16.1.02,14.04,13.06,11.015,36.020,35.021,33.024,32.026,31]hexatriaconta-2,4,6,8,10,12,15,17,19(36),21(33),22,24(32),26,28,30,34-hexadecaene
PubChem CID146651882
Molecular FormulaC33H21N5
Molecular Weight487.57 g/mol
Exact Mass487.18
IUPAC Name25,25-dimethyl-1,3,14,20,34-pentazadecacyclo[17.16.1.02,14.04,13.06,11.015,36.020,35.021,33.024,32.026,31]hexatriaconta-2,4,6,8,10,12,15,17,19(36),21(33),22,24(32),26,28,30,34-hexadecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c2nc2n1c1cccc3c1n2c1nc2cc4ccccc4cc2n31
InChIInChI=1S/C33H21N5/c1-33(2)21-11-6-5-10-20(21)28-22(33)14-15-24-29(28)35-32-36(24)25-12-7-13-26-30(25)38(32)31-34-23-16-18-8-3-4-9-19(18)17-27(23)37(26)31/h3-17H,1-2H3
InChIKeyHWOJHZQCDVQYSC-UHFFFAOYSA-N
XLogP7.59
TPSA39.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.57
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 25,25-dimethyl-1,3,14,20,34-pentazadecacyclo[17.16.1.02,14.04,13.06,11.015,36.020,35.021,33.024,32.026,31]hexatriaconta-2,4,6,8,10,12,15,17,19(36),21(33),22,24(32),26,28,30,34-hexadecaene 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

12,12,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25(33),26,28,30,34,37-heptadecaene
CID 146652535
12,12-dimethyl-27-oxa-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.05,13.06,11.018,39.023,38.024,36.026,34.028,33]nonatriaconta-2,4(16),5(13),6,8,10,14,18(39),19,21,24(36),25,28,30,32,34,37-heptadecaene
CID 146652406
7,7,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),26,28,30,34,37-heptadecaene
CID 146652531
13-(9,9-dimethylfluoren-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene
CID 146652303
14,14,36,36-tetramethyl-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene
CID 138745246
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
17-(2,4-diphenylphenyl)-9-[17-(2,5-diphenylphenyl)-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaen-9-yl]-1,3,14,20,31-pentazanonacyclo[17.13.1.02,14.04,13.06,11.015,33.020,32.021,30.023,28]tritriaconta-2,4(13),5,7,9,11,15,17,19(33),21,23,25,27,29,31-pentadecaene
CID 163974027
5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole
CID 139361909
9,9,14,14-tetramethyl-6-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140710622
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155766526
ethane;4,9,9-trimethylfluorene
CID 123917181
9-[2-(9,9-dimethylfluoren-4-yl)quinazolin-4-yl]-3-naphthalen-2-ylcarbazole
CID 126537282

Frequently Asked Questions

What is the IUPAC name of 25,25-dimethyl-1,3,14,20,34-pentazadecacyclo[17.16.1.02,14.04,13.06,11.015,36.020,35.021,33.024,32.026,31]hexatriaconta-2,4,6,8,10,12,15,17,19(36),21(33),22,24(32),26,28,30,34-hexadecaene?
The IUPAC name of 25,25-dimethyl-1,3,14,20,34-pentazadecacyclo[17.16.1.02,14.04,13.06,11.015,36.020,35.021,33.024,32.026,31]hexatriaconta-2,4,6,8,10,12,15,17,19(36),21(33),22,24(32),26,28,30,34-hexadecaene (CID 146651882) is 25,25-dimethyl-1,3,14,20,34-pentazadecacyclo[17.16.1.02,14.04,13.06,11.015,36.020,35.021,33.024,32.026,31]hexatriaconta-2,4,6,8,10,12,15,17,19(36),21(33),22,24(32),26,28,30,34-hexadecaene.
What is the SMILES notation for 25,25-dimethyl-1,3,14,20,34-pentazadecacyclo[17.16.1.02,14.04,13.06,11.015,36.020,35.021,33.024,32.026,31]hexatriaconta-2,4,6,8,10,12,15,17,19(36),21(33),22,24(32),26,28,30,34-hexadecaene?
The canonical SMILES for 25,25-dimethyl-1,3,14,20,34-pentazadecacyclo[17.16.1.02,14.04,13.06,11.015,36.020,35.021,33.024,32.026,31]hexatriaconta-2,4,6,8,10,12,15,17,19(36),21(33),22,24(32),26,28,30,34-hexadecaene is CC1(C)c2ccccc2-c2c1ccc1c2nc2n1c1cccc3c1n2c1nc2cc4ccccc4cc2n31.
What is the InChIKey of 25,25-dimethyl-1,3,14,20,34-pentazadecacyclo[17.16.1.02,14.04,13.06,11.015,36.020,35.021,33.024,32.026,31]hexatriaconta-2,4,6,8,10,12,15,17,19(36),21(33),22,24(32),26,28,30,34-hexadecaene?
The InChIKey is HWOJHZQCDVQYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5/c1-33(2)21-11-6-5-10-20(21)28-22(33)14-15-24-29(28)35-32-36(24)25-12-7-13-26-30(25)38(32)31-34-23-16-18-8-3-4-9-19(18)17-27(23)37(26)31/h3-17H,1-2H3.
What are the key properties of 25,25-dimethyl-1,3,14,20,34-pentazadecacyclo[17.16.1.02,14.04,13.06,11.015,36.020,35.021,33.024,32.026,31]hexatriaconta-2,4,6,8,10,12,15,17,19(36),21(33),22,24(32),26,28,30,34-hexadecaene?
25,25-dimethyl-1,3,14,20,34-pentazadecacyclo[17.16.1.02,14.04,13.06,11.015,36.020,35.021,33.024,32.026,31]hexatriaconta-2,4,6,8,10,12,15,17,19(36),21(33),22,24(32),26,28,30,34-hexadecaene has a molecular weight of 487.57 g/mol, XLogP of 7.59, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 25,25-dimethyl-1,3,14,20,34-pentazadecacyclo[17.16.1.02,14.04,13.06,11.015,36.020,35.021,33.024,32.026,31]hexatriaconta-2,4,6,8,10,12,15,17,19(36),21(33),22,24(32),26,28,30,34-hexadecaene is sourced from PubChem (CID 146651882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).