3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole

C45H44N6 — CID 170152600

IUPAC3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(N4C5CC6CC(C5)CC4C6)c3)nc(-n3c4ccccc4c4cc(N5C6CC7CC(C6)CC5C7)ccc43)n2)cc1
InChIInChI=1S/C45H44N6/c1-2-7-31(8-3-1)43-46-44(32-9-6-10-33(25-32)49-35-17-27-15-28(19-35)20-36(49)18-27)48-45(47-43)51-41-12-5-4-11-39(41)40-26-34(13-14-42(40)51)50-37-21-29-16-30(23-37)24-38(50)22-29/h1-14,25-30,35-38H,15-24H2
InChIKeyGUOWFOTZMVIKNV-UHFFFAOYSA-N
MW668.89 g/mol
LogP9.84
Rot. Bonds5

About 3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole

3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 170152600) has the molecular formula C45H44N6 and a molecular weight of 668.89 g/mol. Its IUPAC name is 3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
PubChem CID170152600
Molecular FormulaC45H44N6
Molecular Weight668.89 g/mol
Exact Mass668.36
IUPAC Name3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(N4C5CC6CC(C5)CC4C6)c3)nc(-n3c4ccccc4c4cc(N5C6CC7CC(C6)CC5C7)ccc43)n2)cc1
InChIInChI=1S/C45H44N6/c1-2-7-31(8-3-1)43-46-44(32-9-6-10-33(25-32)49-35-17-27-15-28(19-35)20-36(49)18-27)48-45(47-43)51-41-12-5-4-11-39(41)40-26-34(13-14-42(40)51)50-37-21-29-16-30(23-37)24-38(50)22-29/h1-14,25-30,35-38H,15-24H2
InChIKeyGUOWFOTZMVIKNV-UHFFFAOYSA-N
XLogP9.84
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.89
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-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-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-carbazol-9-yl-1,3,5-triazin-2-yl]-3-phenylcarbazole
CID 170152580
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
[3-[4-[3-(10-azatricyclo[4.3.1.03,8]decan-10-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 174105365
3-carbazol-9-yl-9-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146828085
3-carbazol-9-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170132851
2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 170152630
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-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 90211376
[3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane
CID 174105133
3-[9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-[4-[3-[4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 155257157
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
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 170152600) is 3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3cccc(N4C5CC6CC(C5)CC4C6)c3)nc(-n3c4ccccc4c4cc(N5C6CC7CC(C6)CC5C7)ccc43)n2)cc1.
What is the InChIKey of 3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is GUOWFOTZMVIKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H44N6/c1-2-7-31(8-3-1)43-46-44(32-9-6-10-33(25-32)49-35-17-27-15-28(19-35)20-36(49)18-27)48-45(47-43)51-41-12-5-4-11-39(41)40-26-34(13-14-42(40)51)50-37-21-29-16-30(23-37)24-38(50)22-29/h1-14,25-30,35-38H,15-24H2.
What are the key properties of 3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 668.89 g/mol, XLogP of 9.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-[4-[3-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 170152600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).