14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene

C44H28N6 — CID 177077207

IUPAC14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(ccc6c5nc(-c5ccccc5)n6-c5ccccc5)cc43)n2)cc1
InChIInChI=1S/C44H28N6/c1-5-15-29(16-6-1)41-46-42(30-17-7-2-8-18-30)48-44(47-41)50-37-24-14-13-23-34(37)36-28-35-32(27-39(36)50)25-26-38-40(35)45-43(31-19-9-3-10-20-31)49(38)33-21-11-4-12-22-33/h1-28H
InChIKeyAFOBHOFSFGDMIW-UHFFFAOYSA-N
MW640.75 g/mol
LogP10.46
Rot. Bonds5

About 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene

14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene (PubChem CID 177077207) has the molecular formula C44H28N6 and a molecular weight of 640.75 g/mol. Its IUPAC name is 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
PubChem CID177077207
Molecular FormulaC44H28N6
Molecular Weight640.75 g/mol
Exact Mass640.24
IUPAC Name14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(ccc6c5nc(-c5ccccc5)n6-c5ccccc5)cc43)n2)cc1
InChIInChI=1S/C44H28N6/c1-5-15-29(16-6-1)41-46-42(30-17-7-2-8-18-30)48-44(47-41)50-37-24-14-13-23-34(37)36-28-35-32(27-39(36)50)25-26-38-40(35)45-43(31-19-9-3-10-20-31)49(38)33-21-11-4-12-22-33/h1-28H
InChIKeyAFOBHOFSFGDMIW-UHFFFAOYSA-N
XLogP10.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

20-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,20-triazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene
CID 177077173
5,6-diphenyl-16-(4-phenylquinazolin-2-yl)-4,6,16-triazahexacyclo[11.11.0.02,10.03,7.015,23.017,22]tetracosa-1(24),2(10),3(7),4,8,11,13,15(23),17,19,21-undecaene
CID 164589230
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,6-diphenyl-4,6,20-triazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
CID 164589107
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylimidazo[4,5-a]carbazole
CID 135248603
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole;5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole;7-(4-phenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 161291971
5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 130417457
5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 134507234
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole
CID 118083985
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 169037504

Frequently Asked Questions

What is the IUPAC name of 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene?
The IUPAC name of 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene (CID 177077207) is 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene.
What is the SMILES notation for 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene?
The canonical SMILES for 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(ccc6c5nc(-c5ccccc5)n6-c5ccccc5)cc43)n2)cc1.
What is the InChIKey of 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene?
The InChIKey is AFOBHOFSFGDMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N6/c1-5-15-29(16-6-1)41-46-42(30-17-7-2-8-18-30)48-44(47-41)50-37-24-14-13-23-34(37)36-28-35-32(27-39(36)50)25-26-38-40(35)45-43(31-19-9-3-10-20-31)49(38)33-21-11-4-12-22-33/h1-28H.
What are the key properties of 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene?
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene has a molecular weight of 640.75 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-diphenyl-5,7,14-triazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene is sourced from PubChem (CID 177077207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).