28-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene

C41H25N5 — CID 137427316

IUPAC28-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4c5ccccc5ccc4c4c5ccccc5c5[nH]c6ccccc6c5c43)n2)cc1
InChIInChI=1S/C41H25N5/c1-3-14-26(15-4-1)39-43-40(27-16-5-2-6-17-27)45-41(44-39)46-37-28-18-8-7-13-25(28)23-24-32(37)34-29-19-9-10-20-30(29)36-35(38(34)46)31-21-11-12-22-33(31)42-36/h1-24,42H
InChIKeyHWBDRSZSCVTELW-UHFFFAOYSA-N
MW587.69 g/mol
LogP10.24
Rot. Bonds3

About 28-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene

28-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene (PubChem CID 137427316) has the molecular formula C41H25N5 and a molecular weight of 587.69 g/mol. Its IUPAC name is 28-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene.

Molecular Properties

Compound Name28-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene
PubChem CID137427316
Molecular FormulaC41H25N5
Molecular Weight587.69 g/mol
Exact Mass587.21
IUPAC Name28-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4c5ccccc5ccc4c4c5ccccc5c5[nH]c6ccccc6c5c43)n2)cc1
InChIInChI=1S/C41H25N5/c1-3-14-26(15-4-1)39-43-40(27-16-5-2-6-17-27)45-41(44-39)46-37-28-18-8-7-13-25(28)23-24-32(37)34-29-19-9-10-20-30(29)36-35(38(34)46)31-21-11-12-22-33(31)42-36/h1-24,42H
InChIKeyHWBDRSZSCVTELW-UHFFFAOYSA-N
XLogP10.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.69
LogP ≤ 510.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 28-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene with MolForge

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Related Compounds

9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 123987784
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-thia-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
CID 90296151
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole
CID 170268405
18-[4-(9-phenylfluoren-9-yl)phenyl]-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 134184382
18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 139555597
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene
CID 135169755
18-(4-tert-butylphenyl)-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 134184183
25-(4,6-diphenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene
CID 134235603
18-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene
CID 166849459
9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene
CID 137427285
25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 159738284
10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
CID 142569857

Frequently Asked Questions

What is the IUPAC name of 28-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene?
The IUPAC name of 28-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene (CID 137427316) is 28-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene.
What is the SMILES notation for 28-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene?
The canonical SMILES for 28-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4c5ccccc5ccc4c4c5ccccc5c5[nH]c6ccccc6c5c43)n2)cc1.
What is the InChIKey of 28-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene?
The InChIKey is HWBDRSZSCVTELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5/c1-3-14-26(15-4-1)39-43-40(27-16-5-2-6-17-27)45-41(44-39)46-37-28-18-8-7-13-25(28)23-24-32(37)34-29-19-9-10-20-30(29)36-35(38(34)46)31-21-11-12-22-33(31)42-36/h1-24,42H.
What are the key properties of 28-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene?
28-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene has a molecular weight of 587.69 g/mol, XLogP of 10.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 28-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,28-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene is sourced from PubChem (CID 137427316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).