3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

C43H36N4 — CID 171574335

IUPAC3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)ccc43)n2)cc1
InChIInChI=1S/C43H36N4/c1-3-9-32(10-4-1)40-44-41(33-11-5-2-6-12-33)46-42(45-40)47-38-14-8-7-13-36(38)37-24-34(17-20-39(37)47)31-15-18-35(19-16-31)43-25-28-21-29(26-43)23-30(22-28)27-43/h1-20,24,28-30H,21-23,25-27H2
InChIKeyMCWJZVLTGGBHRA-UHFFFAOYSA-N
MW608.79 g/mol
LogP10.44
Rot. Bonds5

About 3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 171574335) has the molecular formula C43H36N4 and a molecular weight of 608.79 g/mol. Its IUPAC name is 3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID171574335
Molecular FormulaC43H36N4
Molecular Weight608.79 g/mol
Exact Mass608.29
IUPAC Name3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)ccc43)n2)cc1
InChIInChI=1S/C43H36N4/c1-3-9-32(10-4-1)40-44-41(33-11-5-2-6-12-33)46-42(45-40)47-38-14-8-7-13-36(38)37-24-34(17-20-39(37)47)31-15-18-35(19-16-31)43-25-28-21-29(26-43)23-30(22-28)27-43/h1-20,24,28-30H,21-23,25-27H2
InChIKeyMCWJZVLTGGBHRA-UHFFFAOYSA-N
XLogP10.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.79
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole 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-[4-[4-(1-adamantyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 171574370
9-[4-[4-(1-adamantyl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole-3-carbonitrile
CID 171574338
9-[4-(1-adamantyl)phenyl]-2-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 169054706
2-[4-[4-(1-adamantyl)phenyl]-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 169054901
5-[4-[4-[4-(1-adamantyl)phenyl]phenyl]-6-[3-(4-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]pyrido[4,3-b]indole
CID 168808524
9-[2-[4-(1-adamantyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(2-carbazol-9-ylphenyl)phenyl]-3,6-diphenylcarbazole
CID 176623186
9-[4-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole
CID 170152590
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490
12-[4-[4-(1-adamantyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-(2,3-diphenylphenyl)indolo[2,3-a]carbazole
CID 170291231
[4-[6-[4-(1-adamantyl)phenyl]-2-carbazol-9-ylpyrimidin-4-yl]phenyl]-triphenylsilane
CID 171574383
9-[2-[4-(1-adamantyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-3,6-diphenylcarbazole
CID 176623150
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole
CID 126580254

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 171574335) is 3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)ccc43)n2)cc1.
What is the InChIKey of 3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is MCWJZVLTGGBHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36N4/c1-3-9-32(10-4-1)40-44-41(33-11-5-2-6-12-33)46-42(45-40)47-38-14-8-7-13-36(38)37-24-34(17-20-39(37)47)31-15-18-35(19-16-31)43-25-28-21-29(26-43)23-30(22-28)27-43/h1-20,24,28-30H,21-23,25-27H2.
What are the key properties of 3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 608.79 g/mol, XLogP of 10.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-adamantyl)phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 171574335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).