26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

C43H25N5 — CID 134221324

IUPAC26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-n3c4cccc5c6ccccc6n6c7ccccc7c7ccc3c(c54)c76)n2)cc1
InChIInChI=1S/C43H25N5/c1-2-12-27(13-3-1)41-44-42(29-22-21-26-11-4-5-14-28(26)25-29)46-43(45-41)48-36-20-10-17-32-30-15-6-8-18-34(30)47-35-19-9-7-16-31(35)33-23-24-37(48)39(38(32)36)40(33)47/h1-25H
InChIKeyCPAAPLBHURREIR-UHFFFAOYSA-N
MW611.71 g/mol
LogP10.61
Rot. Bonds3

About 26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (PubChem CID 134221324) has the molecular formula C43H25N5 and a molecular weight of 611.71 g/mol. Its IUPAC name is 26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.

Molecular Properties

Compound Name26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
PubChem CID134221324
Molecular FormulaC43H25N5
Molecular Weight611.71 g/mol
Exact Mass611.21
IUPAC Name26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-n3c4cccc5c6ccccc6n6c7ccccc7c7ccc3c(c54)c76)n2)cc1
InChIInChI=1S/C43H25N5/c1-2-12-27(13-3-1)41-44-42(29-22-21-26-11-4-5-14-28(26)25-29)46-43(45-41)48-36-20-10-17-32-30-15-6-8-18-34(30)47-35-19-9-7-16-31(35)33-23-24-37(48)39(38(32)36)40(33)47/h1-25H
InChIKeyCPAAPLBHURREIR-UHFFFAOYSA-N
XLogP10.61
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.71
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene with MolForge

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Related Compounds

8-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaene
CID 170381313
26-(4,6-diphenylpyrimidin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 139570705
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene
CID 134437111
5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
CID 58029103
26-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 139570655
12-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916791
15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene
CID 162770140
22-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene;22-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene
CID 159029933
26-(3-naphthalen-2-ylquinoxalin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 134221449
26-(3-naphthalen-2-ylbenzo[f]quinolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 166496726
9-[4-(3,5-diphenylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3,5-diphenylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 160984950
10-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 167272039

Frequently Asked Questions

What is the IUPAC name of 26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
The IUPAC name of 26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (CID 134221324) is 26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.
What is the SMILES notation for 26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
The canonical SMILES for 26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-n3c4cccc5c6ccccc6n6c7ccccc7c7ccc3c(c54)c76)n2)cc1.
What is the InChIKey of 26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
The InChIKey is CPAAPLBHURREIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N5/c1-2-12-27(13-3-1)41-44-42(29-22-21-26-11-4-5-14-28(26)25-29)46-43(45-41)48-36-20-10-17-32-30-15-6-8-18-34(30)47-35-19-9-7-16-31(35)33-23-24-37(48)39(38(32)36)40(33)47/h1-25H.
What are the key properties of 26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene has a molecular weight of 611.71 g/mol, XLogP of 10.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 134221324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).