9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-19-phenyl-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaene

C50H33N7 — CID 155006011

IUPAC9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-19-phenyl-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6n6c7c(nc56)-c5ccccc5C(c5ccccc5)C7)ccc43)n2)cc1
InChIInChI=1S/C50H33N7/c1-4-16-32(17-5-1)39-31-45-46(38-24-11-10-22-36(38)39)51-50-55(43-26-14-15-27-44(43)57(45)50)35-28-29-42-40(30-35)37-23-12-13-25-41(37)56(42)49-53-47(33-18-6-2-7-19-33)52-48(54-49)34-20-8-3-9-21-34/h1-30,39H,31H2
InChIKeyHNVJCQBVKOFXEE-UHFFFAOYSA-N
MW731.86 g/mol
LogP11.25
Rot. Bonds5

About 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-19-phenyl-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaene

9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-19-phenyl-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaene (PubChem CID 155006011) has the molecular formula C50H33N7 and a molecular weight of 731.86 g/mol. Its IUPAC name is 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-19-phenyl-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaene.

Molecular Properties

Compound Name9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-19-phenyl-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaene
PubChem CID155006011
Molecular FormulaC50H33N7
Molecular Weight731.86 g/mol
Exact Mass731.28
IUPAC Name9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-19-phenyl-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6n6c7c(nc56)-c5ccccc5C(c5ccccc5)C7)ccc43)n2)cc1
InChIInChI=1S/C50H33N7/c1-4-16-32(17-5-1)39-31-45-46(38-24-11-10-22-36(38)39)51-50-55(43-26-14-15-27-44(43)57(45)50)35-28-29-42-40(30-35)37-23-12-13-25-41(37)56(42)49-53-47(33-18-6-2-7-19-33)52-48(54-49)34-20-8-3-9-21-34/h1-30,39H,31H2
InChIKeyHNVJCQBVKOFXEE-UHFFFAOYSA-N
XLogP11.25
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-19-phenyl-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaene 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

9-phenyl-19-[9-(4-phenylphenyl)carbazol-3-yl]-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaene
CID 154646478
3-carbazol-9-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170132851
3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883
[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 176643464
[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 162492124
[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 169281943
3-(9H-fluoren-9-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 176723054
15-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene
CID 145017063
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-(9-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-13-yl)indolo[3,2-b]carbazole
CID 164745147
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-7-phenylbenzimidazolo[1,2-a]quinazolin-5-one
CID 171448152
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-19-phenyl-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaene?
The IUPAC name of 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-19-phenyl-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaene (CID 155006011) is 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-19-phenyl-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaene.
What is the SMILES notation for 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-19-phenyl-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaene?
The canonical SMILES for 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-19-phenyl-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6n6c7c(nc56)-c5ccccc5C(c5ccccc5)C7)ccc43)n2)cc1.
What is the InChIKey of 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-19-phenyl-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaene?
The InChIKey is HNVJCQBVKOFXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N7/c1-4-16-32(17-5-1)39-31-45-46(38-24-11-10-22-36(38)39)51-50-55(43-26-14-15-27-44(43)57(45)50)35-28-29-42-40(30-35)37-23-12-13-25-41(37)56(42)49-53-47(33-18-6-2-7-19-33)52-48(54-49)34-20-8-3-9-21-34/h1-30,39H,31H2.
What are the key properties of 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-19-phenyl-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaene?
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-19-phenyl-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaene has a molecular weight of 731.86 g/mol, XLogP of 11.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-19-phenyl-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaene is sourced from PubChem (CID 155006011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).