9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole

C82H60N4 — CID 102429669

IUPAC9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(C23CC4(c5ccc(-n6c7ccccc7c7ccccc76)cc5)CC(c5ccc(-n6c7ccccc7c7ccccc76)cc5)(C2)CC(c2ccc(-n5c6ccccc6c6ccccc65)cc2)(C3)C4)cc1
InChIInChI=1S/C82H60N4/c1-9-25-71-63(17-1)64-18-2-10-26-72(64)83(71)59-41-33-55(34-42-59)79-49-80(56-35-43-60(44-36-56)84-73-27-11-3-19-65(73)66-20-4-12-28-74(66)84)52-81(50-79,57-37-45-61(46-38-57)85-75-29-13-5-21-67(75)68-22-6-14-30-76(68)85)54-82(51-79,53-80)58-39-47-62(48-40-58)86-77-31-15-7-23-69(77)70-24-8-16-32-78(70)86/h1-48H,49-54H2
InChIKeyVOXXZGXGTKMGRV-UHFFFAOYSA-N
MW1101.41 g/mol
LogP20.51
Rot. Bonds8

About 9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole

9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole (PubChem CID 102429669) has the molecular formula C82H60N4 and a molecular weight of 1101.41 g/mol. Its IUPAC name is 9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
PubChem CID102429669
Molecular FormulaC82H60N4
Molecular Weight1101.41 g/mol
Exact Mass1100.48
IUPAC Name9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(C23CC4(c5ccc(-n6c7ccccc7c7ccccc76)cc5)CC(c5ccc(-n6c7ccccc7c7ccccc76)cc5)(C2)CC(c2ccc(-n5c6ccccc6c6ccccc65)cc2)(C3)C4)cc1
InChIInChI=1S/C82H60N4/c1-9-25-71-63(17-1)64-18-2-10-26-72(64)83(71)59-41-33-55(34-42-59)79-49-80(56-35-43-60(44-36-56)84-73-27-11-3-19-65(73)66-20-4-12-28-74(66)84)52-81(50-79,57-37-45-61(46-38-57)85-75-29-13-5-21-67(75)68-22-6-14-30-76(68)85)54-82(51-79,53-80)58-39-47-62(48-40-58)86-77-31-15-7-23-69(77)70-24-8-16-32-78(70)86/h1-48H,49-54H2
InChIKeyVOXXZGXGTKMGRV-UHFFFAOYSA-N
XLogP20.51
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.41
LogP ≤ 520.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 141391404
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
N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]naphthalen-1-amine;N-[4-[4-[N-naphthalen-1-yl-4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenyl-N-[4-[3,5,7-tris[4-(N-naphthalen-1-ylanilino)phenyl]-1-adamantyl]phenyl]naphthalen-1-amine
CID 158382722
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane
CID 144612449
9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole
CID 58939565
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole
CID 121422322
9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole
CID 118965630
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole?
The IUPAC name of 9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole (CID 102429669) is 9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc(C23CC4(c5ccc(-n6c7ccccc7c7ccccc76)cc5)CC(c5ccc(-n6c7ccccc7c7ccccc76)cc5)(C2)CC(c2ccc(-n5c6ccccc6c6ccccc65)cc2)(C3)C4)cc1.
What is the InChIKey of 9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole?
The InChIKey is VOXXZGXGTKMGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H60N4/c1-9-25-71-63(17-1)64-18-2-10-26-72(64)83(71)59-41-33-55(34-42-59)79-49-80(56-35-43-60(44-36-56)84-73-27-11-3-19-65(73)66-20-4-12-28-74(66)84)52-81(50-79,57-37-45-61(46-38-57)85-75-29-13-5-21-67(75)68-22-6-14-30-76(68)85)54-82(51-79,53-80)58-39-47-62(48-40-58)86-77-31-15-7-23-69(77)70-24-8-16-32-78(70)86/h1-48H,49-54H2.
What are the key properties of 9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole?
9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole has a molecular weight of 1101.41 g/mol, XLogP of 20.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole is sourced from PubChem (CID 102429669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).