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

C64H49N3 — CID 141391404

IUPAC9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(C23CC4CC(c5ccc(-n6c7ccccc7c7ccccc76)cc5)(C2)CC(c2ccc(-n5c6ccccc6c6ccccc65)cc2)(C4)C3)cc1
InChIInChI=1S/C64H49N3/c1-7-19-56-50(13-1)51-14-2-8-20-57(51)65(56)47-31-25-44(26-32-47)62-37-43-38-63(40-62,45-27-33-48(34-28-45)66-58-21-9-3-15-52(58)53-16-4-10-22-59(53)66)42-64(39-43,41-62)46-29-35-49(36-30-46)67-60-23-11-5-17-54(60)55-18-6-12-24-61(55)67/h1-36,43H,37-42H2
InChIKeyNLZUZLQJCKKRHR-UHFFFAOYSA-N
MW860.12 g/mol
LogP16.09
Rot. Bonds6

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

9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole (PubChem CID 141391404) has the molecular formula C64H49N3 and a molecular weight of 860.12 g/mol. Its IUPAC name is 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
PubChem CID141391404
Molecular FormulaC64H49N3
Molecular Weight860.12 g/mol
Exact Mass859.39
IUPAC Name9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(C23CC4CC(c5ccc(-n6c7ccccc7c7ccccc76)cc5)(C2)CC(c2ccc(-n5c6ccccc6c6ccccc65)cc2)(C4)C3)cc1
InChIInChI=1S/C64H49N3/c1-7-19-56-50(13-1)51-14-2-8-20-57(51)65(56)47-31-25-44(26-32-47)62-37-43-38-63(40-62,45-27-33-48(34-28-45)66-58-21-9-3-15-52(58)53-16-4-10-22-59(53)66)42-64(39-43,41-62)46-29-35-49(36-30-46)67-60-23-11-5-17-54(60)55-18-6-12-24-61(55)67/h1-36,43H,37-42H2
InChIKeyNLZUZLQJCKKRHR-UHFFFAOYSA-N
XLogP16.09
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.12
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 102429669
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
3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole
CID 121422322
9-[4-[4-(1-adamantyl)phenyl]phenyl]-3-tert-butylcarbazole
CID 168808571
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
3-[3-(4,6-diphenylpyrimidin-2-yl)-1-adamantyl]-9-phenylcarbazole
CID 155374933
3-N-[3-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275902
9-[4-(1-adamantyl)phenyl]-2-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 169054706
3-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-1-adamantyl]-9-phenylcarbazole
CID 155374966
9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole
CID 118965630
8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 171765135
9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole
CID 58939565

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole?
The IUPAC name of 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole (CID 141391404) is 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc(C23CC4CC(c5ccc(-n6c7ccccc7c7ccccc76)cc5)(C2)CC(c2ccc(-n5c6ccccc6c6ccccc65)cc2)(C4)C3)cc1.
What is the InChIKey of 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole?
The InChIKey is NLZUZLQJCKKRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49N3/c1-7-19-56-50(13-1)51-14-2-8-20-57(51)65(56)47-31-25-44(26-32-47)62-37-43-38-63(40-62,45-27-33-48(34-28-45)66-58-21-9-3-15-52(58)53-16-4-10-22-59(53)66)42-64(39-43,41-62)46-29-35-49(36-30-46)67-60-23-11-5-17-54(60)55-18-6-12-24-61(55)67/h1-36,43H,37-42H2.
What are the key properties of 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole?
9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole has a molecular weight of 860.12 g/mol, XLogP of 16.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole is sourced from PubChem (CID 141391404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).