2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole

C37H32N4 — CID 170152630

IUPAC2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc(N5C6CC7CC(C6)CC5C7)cc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C37H32N4/c1-3-9-26(10-4-1)33-23-36(39-37(38-33)27-11-5-2-6-12-27)41-34-14-8-7-13-31(34)32-16-15-28(22-35(32)41)40-29-18-24-17-25(20-29)21-30(40)19-24/h1-16,22-25,29-30H,17-21H2
InChIKeyOHBRLOHVFVRYPY-UHFFFAOYSA-N
MW532.69 g/mol
LogP8.68
Rot. Bonds4

About 2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole

2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole (PubChem CID 170152630) has the molecular formula C37H32N4 and a molecular weight of 532.69 g/mol. Its IUPAC name is 2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole.

Molecular Properties

Compound Name2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
PubChem CID170152630
Molecular FormulaC37H32N4
Molecular Weight532.69 g/mol
Exact Mass532.26
IUPAC Name2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc(N5C6CC7CC(C6)CC5C7)cc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C37H32N4/c1-3-9-26(10-4-1)33-23-36(39-37(38-33)27-11-5-2-6-12-27)41-34-14-8-7-13-31(34)32-16-15-28(22-35(32)41)40-29-18-24-17-25(20-29)21-30(40)19-24/h1-16,22-25,29-30H,17-21H2
InChIKeyOHBRLOHVFVRYPY-UHFFFAOYSA-N
XLogP8.68
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-phenylpyrimidin-2-yl]phenyl]-triphenylsilane
CID 174105132
[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-[4-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)carbazol-9-yl]-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-triphenylsilane
CID 174105135
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-azatricyclo[3.3.1.13,7]decane
CID 170152624
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
9-[2-[2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
CID 170152619
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 134168850
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511179
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-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
12-(2,6-diphenylpyrimidin-4-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 121385306
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-b]carbazole
CID 158545960

Frequently Asked Questions

What is the IUPAC name of 2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole?
The IUPAC name of 2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole (CID 170152630) is 2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole.
What is the SMILES notation for 2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole?
The canonical SMILES for 2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccc(N5C6CC7CC(C6)CC5C7)cc43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole?
The InChIKey is OHBRLOHVFVRYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4/c1-3-9-26(10-4-1)33-23-36(39-37(38-33)27-11-5-2-6-12-27)41-34-14-8-7-13-31(34)32-16-15-28(22-35(32)41)40-29-18-24-17-25(20-29)21-30(40)19-24/h1-16,22-25,29-30H,17-21H2.
What are the key properties of 2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole?
2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole has a molecular weight of 532.69 g/mol, XLogP of 8.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole is sourced from PubChem (CID 170152630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).