19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-4,5,8-triphenyl-4,6,8,19-tetrazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),3(7),5,10,13,15,17-octaene

C55H37N7 — CID 144645994

IUPAC19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-4,5,8-triphenyl-4,6,8,19-tetrazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),3(7),5,10,13,15,17-octaene
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3ccc4c(c5c(nc(-c6ccccc6)n5-c5ccccc5)n4-c4ccccc4)c32)c1
InChIInChI=1S/C55H37N7/c1-36-33-40(53-57-51(37-19-7-2-8-20-37)56-52(58-53)38-21-9-3-10-22-38)35-43(34-36)60-46-30-18-17-29-44(46)45-31-32-47-48(49(45)60)50-55(61(47)41-25-13-5-14-26-41)59-54(39-23-11-4-12-24-39)62(50)42-27-15-6-16-28-42/h2-35H,1H3
InChIKeyJUNAQQWESQZHDG-UHFFFAOYSA-N
MW795.95 g/mol
LogP13.23
Rot. Bonds7

About 19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-4,5,8-triphenyl-4,6,8,19-tetrazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),3(7),5,10,13,15,17-octaene

19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-4,5,8-triphenyl-4,6,8,19-tetrazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),3(7),5,10,13,15,17-octaene (PubChem CID 144645994) has the molecular formula C55H37N7 and a molecular weight of 795.95 g/mol. Its IUPAC name is 19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-4,5,8-triphenyl-4,6,8,19-tetrazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),3(7),5,10,13,15,17-octaene.

Molecular Properties

Compound Name19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-4,5,8-triphenyl-4,6,8,19-tetrazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),3(7),5,10,13,15,17-octaene
PubChem CID144645994
Molecular FormulaC55H37N7
Molecular Weight795.95 g/mol
Exact Mass795.31
IUPAC Name19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-4,5,8-triphenyl-4,6,8,19-tetrazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),3(7),5,10,13,15,17-octaene
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3ccc4c(c5c(nc(-c6ccccc6)n5-c5ccccc5)n4-c4ccccc4)c32)c1
InChIInChI=1S/C55H37N7/c1-36-33-40(53-57-51(37-19-7-2-8-20-37)56-52(58-53)38-21-9-3-10-22-38)35-43(34-36)60-46-30-18-17-29-44(46)45-31-32-47-48(49(45)60)50-55(61(47)41-25-13-5-14-26-41)59-54(39-23-11-4-12-24-39)62(50)42-27-15-6-16-28-42/h2-35H,1H3
InChIKeyJUNAQQWESQZHDG-UHFFFAOYSA-N
XLogP13.23
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.95
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-4,5,8-triphenyl-4,6,8,19-tetrazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),3(7),5,10,13,15,17-octaene with MolForge

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Related Compounds

5-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 170268528
13-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,5,8-triphenyl-4,6,8,13-tetrazapentacyclo[10.7.0.02,9.03,7.014,19]nonadeca-1(12),2(9),3(7),5,10,14,16,18-octaene;ethane
CID 144645825
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-10-[4-[4-phenyl-6-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 163726164
12-[4-[4-(3,5-dimethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 134509772
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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylimidazo[4,5-a]carbazole
CID 135248603
18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-12-phenyl-12,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,21]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(21),19,22-undecaene
CID 90223034
5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155183616
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,9-diphenylindolo[3,2-c]carbazole
CID 126628139
12-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 157204309

Frequently Asked Questions

What is the IUPAC name of 19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-4,5,8-triphenyl-4,6,8,19-tetrazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),3(7),5,10,13,15,17-octaene?
The IUPAC name of 19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-4,5,8-triphenyl-4,6,8,19-tetrazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),3(7),5,10,13,15,17-octaene (CID 144645994) is 19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-4,5,8-triphenyl-4,6,8,19-tetrazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),3(7),5,10,13,15,17-octaene.
What is the SMILES notation for 19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-4,5,8-triphenyl-4,6,8,19-tetrazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),3(7),5,10,13,15,17-octaene?
The canonical SMILES for 19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-4,5,8-triphenyl-4,6,8,19-tetrazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),3(7),5,10,13,15,17-octaene is Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3ccc4c(c5c(nc(-c6ccccc6)n5-c5ccccc5)n4-c4ccccc4)c32)c1.
What is the InChIKey of 19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-4,5,8-triphenyl-4,6,8,19-tetrazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),3(7),5,10,13,15,17-octaene?
The InChIKey is JUNAQQWESQZHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N7/c1-36-33-40(53-57-51(37-19-7-2-8-20-37)56-52(58-53)38-21-9-3-10-22-38)35-43(34-36)60-46-30-18-17-29-44(46)45-31-32-47-48(49(45)60)50-55(61(47)41-25-13-5-14-26-41)59-54(39-23-11-4-12-24-39)62(50)42-27-15-6-16-28-42/h2-35H,1H3.
What are the key properties of 19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-4,5,8-triphenyl-4,6,8,19-tetrazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),3(7),5,10,13,15,17-octaene?
19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-4,5,8-triphenyl-4,6,8,19-tetrazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),3(7),5,10,13,15,17-octaene has a molecular weight of 795.95 g/mol, XLogP of 13.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-4,5,8-triphenyl-4,6,8,19-tetrazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),3(7),5,10,13,15,17-octaene is sourced from PubChem (CID 144645994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).