3,4,12,13-tetramethyl-17-phenyl-5,8,11,17-tetrazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene

C32H24N4 — CID 167116553

IUPAC3,4,12,13-tetramethyl-17-phenyl-5,8,11,17-tetrazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
SMILESCc1ncc2c(c1C)c1cc3c4ccccc4n(-c4ccccc4)c3c3c4c(C)c(C)ncc4n2c13
InChIInChI=1S/C32H24N4/c1-17-19(3)33-15-26-28(17)24-14-23-22-12-8-9-13-25(22)35(21-10-6-5-7-11-21)31(23)30-29-18(2)20(4)34-16-27(29)36(26)32(24)30/h5-16H,1-4H3
InChIKeyZMGUYEDZTYSECQ-UHFFFAOYSA-N
MW464.57 g/mol
LogP7.96
Rot. Bonds1

About 3,4,12,13-tetramethyl-17-phenyl-5,8,11,17-tetrazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene

3,4,12,13-tetramethyl-17-phenyl-5,8,11,17-tetrazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene (PubChem CID 167116553) has the molecular formula C32H24N4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3,4,12,13-tetramethyl-17-phenyl-5,8,11,17-tetrazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

Compound Name3,4,12,13-tetramethyl-17-phenyl-5,8,11,17-tetrazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
PubChem CID167116553
Molecular FormulaC32H24N4
Molecular Weight464.57 g/mol
Exact Mass464.20
IUPAC Name3,4,12,13-tetramethyl-17-phenyl-5,8,11,17-tetrazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
SMILESCc1ncc2c(c1C)c1cc3c4ccccc4n(-c4ccccc4)c3c3c4c(C)c(C)ncc4n2c13
InChIInChI=1S/C32H24N4/c1-17-19(3)33-15-26-28(17)24-14-23-22-12-8-9-13-25(22)35(21-10-6-5-7-11-21)31(23)30-29-18(2)20(4)34-16-27(29)36(26)32(24)30/h5-16H,1-4H3
InChIKeyZMGUYEDZTYSECQ-UHFFFAOYSA-N
XLogP7.96
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4,12,13-tetramethyl-17-phenyl-5,8,11,17-tetrazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene with MolForge

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Related Compounds

3,25-dimethyl-14,36-diphenyl-5,14,27,36-tetrazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.015,20.028,33.034,45.035,43.037,42.023,46]hexatetraconta-1(45),2,4(24),6,8,10,12,15,17,19,21,23(46),25,28,30,32,34,37,39,41,43-henicosaene
CID 162500997
17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
CID 130258843
3-(9-phenylpyrido[3,4-b]indol-3-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene
CID 130258416
21,21,31,31-tetramethyl-3-phenyl-3,26-diazaundecacyclo[24.13.1.02,10.04,9.012,40.013,25.014,22.015,20.027,39.030,38.032,37]tetraconta-1,4,6,8,10,12(40),13(25),14(22),15,17,19,23,27(39),28,30(38),32,34,36-octadecaene
CID 146376435
36,46-diphenyl-13,16,19,36,46-pentazahexadecacyclo[28.17.1.14,7.16,11.121,25.123,27.02,15.03,12.06,9.016,48.017,29.020,28.032,47.033,45.035,43.037,42]dopentaconta-1(47),2,12,14,17,19,28,30(48),31,33(45),34,37,39,41,43-pentadecaene
CID 164528180
24,24-dimethyl-3-phenyl-3,19-diazanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.023,31.025,30]tritriaconta-1,4,6,8,10,12(33),13,15,17,20(32),21,23(31),25,27,29-pentadecaene
CID 153449348
3-(9-phenylpyrido[2,3-b]indol-3-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene
CID 130258539
24-methyl-15-phenyl-3-triphenylen-2-yl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
CID 118506335
14,36-diphenyl-3,18-di(propan-2-yl)-5,20,36-triazaundecacyclo[18.17.1.15,12.02,19.04,17.06,11.021,26.027,38.029,37.030,35.016,39]nonatriaconta-1(37),2(19),3,6,8,10,12(39),13,15,17,21,23,25,27(38),28,30,32,34-octadecaene
CID 170940428
6-methyl-11-phenylindolo[3,2-c]quinoline
CID 177491970
17-(3,5-diphenylphenyl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene
CID 163723799
16,38-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(45),2,4(24),6(18),7,9(17),10,12,14,19,21,23(46),25,28(40),29,31(39),32,34,36,41,43-henicosaene
CID 146512233

Frequently Asked Questions

What is the IUPAC name of 3,4,12,13-tetramethyl-17-phenyl-5,8,11,17-tetrazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene?
The IUPAC name of 3,4,12,13-tetramethyl-17-phenyl-5,8,11,17-tetrazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene (CID 167116553) is 3,4,12,13-tetramethyl-17-phenyl-5,8,11,17-tetrazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene.
What is the SMILES notation for 3,4,12,13-tetramethyl-17-phenyl-5,8,11,17-tetrazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene?
The canonical SMILES for 3,4,12,13-tetramethyl-17-phenyl-5,8,11,17-tetrazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene is Cc1ncc2c(c1C)c1cc3c4ccccc4n(-c4ccccc4)c3c3c4c(C)c(C)ncc4n2c13.
What is the InChIKey of 3,4,12,13-tetramethyl-17-phenyl-5,8,11,17-tetrazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene?
The InChIKey is ZMGUYEDZTYSECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4/c1-17-19(3)33-15-26-28(17)24-14-23-22-12-8-9-13-25(22)35(21-10-6-5-7-11-21)31(23)30-29-18(2)20(4)34-16-27(29)36(26)32(24)30/h5-16H,1-4H3.
What are the key properties of 3,4,12,13-tetramethyl-17-phenyl-5,8,11,17-tetrazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene?
3,4,12,13-tetramethyl-17-phenyl-5,8,11,17-tetrazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene has a molecular weight of 464.57 g/mol, XLogP of 7.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,12,13-tetramethyl-17-phenyl-5,8,11,17-tetrazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 167116553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).