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

C47H27N5 — CID 162770140

IUPAC15-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc6ccc7cccc8c7c6c5c5c4ccc4c6ccccc6n8c45)c3)n2)cc1
InChIInChI=1S/C47H27N5/c1-3-11-30(12-4-1)45-48-46(31-13-5-2-6-14-31)50-47(49-45)32-16-9-17-33(27-32)51-38-25-23-29-22-21-28-15-10-20-37-40(28)41(29)42(38)43-39(51)26-24-35-34-18-7-8-19-36(34)52(37)44(35)43/h1-27H
InChIKeyWMOSEXKUHHJTHA-UHFFFAOYSA-N
MW661.77 g/mol
LogP11.71
Rot. Bonds4

About 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

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 (PubChem CID 162770140) has the molecular formula C47H27N5 and a molecular weight of 661.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-[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
PubChem CID162770140
Molecular FormulaC47H27N5
Molecular Weight661.77 g/mol
Exact Mass661.23
IUPAC Name15-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc6ccc7cccc8c7c6c5c5c4ccc4c6ccccc6n8c45)c3)n2)cc1
InChIInChI=1S/C47H27N5/c1-3-11-30(12-4-1)45-48-46(31-13-5-2-6-14-31)50-47(49-45)32-16-9-17-33(27-32)51-38-25-23-29-22-21-28-15-10-20-37-40(28)41(29)42(38)43-39(51)26-24-35-34-18-7-8-19-36(34)52(37)44(35)43/h1-27H
InChIKeyWMOSEXKUHHJTHA-UHFFFAOYSA-N
XLogP11.71
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.77
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-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(9),5,7,12,17,19(27),20,22,24-dodecaene
CID 167271710
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-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
18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-azaheptacyclo[12.11.0.02,11.03,8.04,23.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaene
CID 162770195
5-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118517632
5-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 169014315
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169014428
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139496723
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
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701
9-[3-(4-benzo[g]phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170109000
15-[4-(4-phenylphenyl)quinazolin-2-yl]-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 148877399

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc6ccc7cccc8c7c6c5c5c4ccc4c6ccccc6n8c45)c3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is WMOSEXKUHHJTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N5/c1-3-11-30(12-4-1)45-48-46(31-13-5-2-6-14-31)50-47(49-45)32-16-9-17-33(27-32)51-38-25-23-29-22-21-28-15-10-20-37-40(28)41(29)42(38)43-39(51)26-24-35-34-18-7-8-19-36(34)52(37)44(35)43/h1-27H.
What are the key properties of 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?
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 has a molecular weight of 661.77 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162770140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).