3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole

C61H41N7 — CID 154618864

IUPAC3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cccc5n6-c5ccccc5)ccc43)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C61H41N7/c1-6-19-40(20-7-1)51-39-52(41-21-8-2-9-22-41)63-60(62-51)48-30-18-32-56-57(48)50-38-45(34-36-55(50)67(56)46-27-14-5-15-28-46)44-33-35-54-49(37-44)47-29-16-17-31-53(47)68(54)61-65-58(42-23-10-3-11-24-42)64-59(66-61)43-25-12-4-13-26-43/h1-39,58H,(H,64,65,66)
InChIKeyUAKNIXMXPJGALM-UHFFFAOYSA-N
MW872.05 g/mol
LogP14.30
Rot. Bonds7

About 3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole

3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole (PubChem CID 154618864) has the molecular formula C61H41N7 and a molecular weight of 872.05 g/mol. Its IUPAC name is 3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole
PubChem CID154618864
Molecular FormulaC61H41N7
Molecular Weight872.05 g/mol
Exact Mass871.34
IUPAC Name3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cccc5n6-c5ccccc5)ccc43)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C61H41N7/c1-6-19-40(20-7-1)51-39-52(41-21-8-2-9-22-41)63-60(62-51)48-30-18-32-56-57(48)50-38-45(34-36-55(50)67(56)46-27-14-5-15-28-46)44-33-35-54-49(37-44)47-29-16-17-31-53(47)68(54)61-65-58(42-23-10-3-11-24-42)64-59(66-61)43-25-12-4-13-26-43/h1-39,58H,(H,64,65,66)
InChIKeyUAKNIXMXPJGALM-UHFFFAOYSA-N
XLogP14.30
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.05
LogP ≤ 514.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole 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

3-[8-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 155077354
11-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 137220455
7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
CID 146337552
3-[3-[4-[3-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;3-[3-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;3-[3-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 159827269
9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-14-(2,5-diphenylphenyl)-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 167154552
9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole
CID 166961274
7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214911
7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole
CID 137214887
5-(4,6-diphenylpyrimidin-2-yl)-3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazol-3-yl]-9H-carbazol-3-yl]-9-phenylcarbazole
CID 129292170
9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 157253653
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(2,6-diphenyl-4-pyridinyl)carbazol-4-yl]-9-phenylcarbazole
CID 158283831

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole?
The IUPAC name of 3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole (CID 154618864) is 3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole?
The canonical SMILES for 3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole is c1ccc(C2=NC(n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cccc5n6-c5ccccc5)ccc43)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole?
The InChIKey is UAKNIXMXPJGALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N7/c1-6-19-40(20-7-1)51-39-52(41-21-8-2-9-22-41)63-60(62-51)48-30-18-32-56-57(48)50-38-45(34-36-55(50)67(56)46-27-14-5-15-28-46)44-33-35-54-49(37-44)47-29-16-17-31-53(47)68(54)61-65-58(42-23-10-3-11-24-42)64-59(66-61)43-25-12-4-13-26-43/h1-39,58H,(H,64,65,66).
What are the key properties of 3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole?
3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole has a molecular weight of 872.05 g/mol, XLogP of 14.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 154618864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).