5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene

C50H31N7 — CID 118301337

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccc4c(c6ccccc6n4-c4ccccn4)c3n5-c3ccccc3)n2)cc1
InChIInChI=1S/C50H31N7/c1-4-16-32(17-5-1)48-52-49(33-18-6-2-7-19-33)54-50(53-48)57-40-24-12-10-22-35(40)38-30-43-39(31-44(38)57)36-27-28-42-46(47(36)55(43)34-20-8-3-9-21-34)37-23-11-13-25-41(37)56(42)45-26-14-15-29-51-45/h1-31H
InChIKeyLYYITZGHAWIKJD-UHFFFAOYSA-N
MW729.85 g/mol
LogP11.89
Rot. Bonds5

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene (PubChem CID 118301337) has the molecular formula C50H31N7 and a molecular weight of 729.85 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene
PubChem CID118301337
Molecular FormulaC50H31N7
Molecular Weight729.85 g/mol
Exact Mass729.26
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccc4c(c6ccccc6n4-c4ccccn4)c3n5-c3ccccc3)n2)cc1
InChIInChI=1S/C50H31N7/c1-4-16-32(17-5-1)48-52-49(33-18-6-2-7-19-33)54-50(53-48)57-40-24-12-10-22-35(40)38-30-43-39(31-44(38)57)36-27-28-42-46(47(36)55(43)34-20-8-3-9-21-34)37-23-11-13-25-41(37)56(42)45-26-14-15-29-51-45/h1-31H
InChIKeyLYYITZGHAWIKJD-UHFFFAOYSA-N
XLogP11.89
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.85
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene with MolForge

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Related Compounds

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole
CID 90195034
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166563611
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-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162363120
5-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 170268528
7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 164990213
12-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 164799948
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
CID 88917516
10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 129141718
8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-22-pyridin-2-yl-8,22-diazaheptacyclo[13.6.1.04,20.07,19.09,18.012,17.016,21]docosa-1(21),2,4(20),5,7(19),9(18),10,12(17),13,15-decaene
CID 90249770
9-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 157494844

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene (CID 118301337) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccc4c(c6ccccc6n4-c4ccccn4)c3n5-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene?
The InChIKey is LYYITZGHAWIKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N7/c1-4-16-32(17-5-1)48-52-49(33-18-6-2-7-19-33)54-50(53-48)57-40-24-12-10-22-35(40)38-30-43-39(31-44(38)57)36-27-28-42-46(47(36)55(43)34-20-8-3-9-21-34)37-23-11-13-25-41(37)56(42)45-26-14-15-29-51-45/h1-31H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene has a molecular weight of 729.85 g/mol, XLogP of 11.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-24-pyridin-2-yl-5,15,24-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 118301337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).