9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole

C80H58N4 — CID 58939565

IUPAC9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CCC3CC2CC3(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C80H58N4/c1-9-25-71-63(17-1)64-18-2-10-26-72(64)81(71)59-41-33-53(34-42-59)79(54-35-43-60(44-36-54)82-73-27-11-3-19-65(73)66-20-4-12-28-74(66)82)50-49-57-51-58(79)52-80(57,55-37-45-61(46-38-55)83-75-29-13-5-21-67(75)68-22-6-14-30-76(68)83)56-39-47-62(48-40-56)84-77-31-15-7-23-69(77)70-24-8-16-32-78(70)84/h1-48,57-58H,49-52H2
InChIKeyZIPJPWVTXFCRCF-UHFFFAOYSA-N
MW1075.37 g/mol
LogP20.17
Rot. Bonds8

About 9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole

9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole (PubChem CID 58939565) has the molecular formula C80H58N4 and a molecular weight of 1075.37 g/mol. Its IUPAC name is 9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole
PubChem CID58939565
Molecular FormulaC80H58N4
Molecular Weight1075.37 g/mol
Exact Mass1074.47
IUPAC Name9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CCC3CC2CC3(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C80H58N4/c1-9-25-71-63(17-1)64-18-2-10-26-72(64)81(71)59-41-33-53(34-42-59)79(54-35-43-60(44-36-54)82-73-27-11-3-19-65(73)66-20-4-12-28-74(66)82)50-49-57-51-58(79)52-80(57,55-37-45-61(46-38-55)83-75-29-13-5-21-67(75)68-22-6-14-30-76(68)83)56-39-47-62(48-40-56)84-77-31-15-7-23-69(77)70-24-8-16-32-78(70)84/h1-48,57-58H,49-52H2
InChIKeyZIPJPWVTXFCRCF-UHFFFAOYSA-N
XLogP20.17
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.37
LogP ≤ 520.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 102429669
9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole
CID 118965630
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
9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane
CID 144612449
9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole
CID 155332348
[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane
CID 155642855
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-azoniatricyclo[3.3.1.13,7]decan-1-yl)phenyl]carbazole
CID 170153519
3-(2-bromo-2-adamantyl)-9-phenylcarbazole
CID 155642852
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole?
The IUPAC name of 9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole (CID 58939565) is 9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc(C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CCC3CC2CC3(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole?
The InChIKey is ZIPJPWVTXFCRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H58N4/c1-9-25-71-63(17-1)64-18-2-10-26-72(64)81(71)59-41-33-53(34-42-59)79(54-35-43-60(44-36-54)82-73-27-11-3-19-65(73)66-20-4-12-28-74(66)82)50-49-57-51-58(79)52-80(57,55-37-45-61(46-38-55)83-75-29-13-5-21-67(75)68-22-6-14-30-76(68)83)56-39-47-62(48-40-56)84-77-31-15-7-23-69(77)70-24-8-16-32-78(70)84/h1-48,57-58H,49-52H2.
What are the key properties of 9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole?
9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole has a molecular weight of 1075.37 g/mol, XLogP of 20.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole is sourced from PubChem (CID 58939565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).