3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole

C43H36N4 — CID 155374966

IUPAC3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(C45CC6CC(CC(c7cc(-c8cccnc8)nc(-c8cccnc8)c7)(C6)C4)C5)ccc32)cc1
InChIInChI=1S/C43H36N4/c1-2-10-35(11-3-1)47-40-13-5-4-12-36(40)37-19-33(14-15-41(37)47)42-22-29-18-30(23-42)25-43(24-29,28-42)34-20-38(31-8-6-16-44-26-31)46-39(21-34)32-9-7-17-45-27-32/h1-17,19-21,26-27,29-30H,18,22-25,28H2
InChIKeyOGOFPMPRBQIOFR-UHFFFAOYSA-N
MW608.79 g/mol
LogP10.09
Rot. Bonds5

About 3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole

3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole (PubChem CID 155374966) has the molecular formula C43H36N4 and a molecular weight of 608.79 g/mol. Its IUPAC name is 3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole
PubChem CID155374966
Molecular FormulaC43H36N4
Molecular Weight608.79 g/mol
Exact Mass608.29
IUPAC Name3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(C45CC6CC(CC(c7cc(-c8cccnc8)nc(-c8cccnc8)c7)(C6)C4)C5)ccc32)cc1
InChIInChI=1S/C43H36N4/c1-2-10-35(11-3-1)47-40-13-5-4-12-36(40)37-19-33(14-15-41(37)47)42-22-29-18-30(23-42)25-43(24-29,28-42)34-20-38(31-8-6-16-44-26-31)46-39(21-34)32-9-7-17-45-27-32/h1-17,19-21,26-27,29-30H,18,22-25,28H2
InChIKeyOGOFPMPRBQIOFR-UHFFFAOYSA-N
XLogP10.09
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 ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4,6-diphenylpyrimidin-2-yl)-1-adamantyl]-9-phenylcarbazole
CID 155374933
3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole
CID 121422322
9-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole;9-[4-[4-[3-[4-(4-carbazol-9-ylphenyl)phenyl]-1-adamantyl]phenyl]phenyl]carbazole
CID 157166578
9-[4-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]phenyl]carbazole;3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[4-[3-(4-ethenylphenyl)-1-adamantyl]phenyl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
CID 162083574
9-(2,6-dipyridin-3-yl-4-pyridinyl)carbazole
CID 135264911
3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 164843356
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 141391404
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 160869531
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
CID 126749641
9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole
CID 162774177
3-(2-bromo-2-adamantyl)-9-phenylcarbazole
CID 155642852

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole (CID 155374966) is 3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(C45CC6CC(CC(c7cc(-c8cccnc8)nc(-c8cccnc8)c7)(C6)C4)C5)ccc32)cc1.
What is the InChIKey of 3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole?
The InChIKey is OGOFPMPRBQIOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36N4/c1-2-10-35(11-3-1)47-40-13-5-4-12-36(40)37-19-33(14-15-41(37)47)42-22-29-18-30(23-42)25-43(24-29,28-42)34-20-38(31-8-6-16-44-26-31)46-39(21-34)32-9-7-17-45-27-32/h1-17,19-21,26-27,29-30H,18,22-25,28H2.
What are the key properties of 3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole?
3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole has a molecular weight of 608.79 g/mol, XLogP of 10.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole is sourced from PubChem (CID 155374966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).