9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole

C66H42N4 — CID 177114986

IUPAC9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1
InChIInChI=1S/C66H42N4/c1-10-32-54-43(21-1)44-22-2-11-33-55(44)67(54)60-38-16-7-27-49(60)51-30-19-31-52(50-28-8-17-39-61(50)68-56-34-12-3-23-45(56)46-24-4-13-35-57(46)68)66(51)70-62-40-18-9-29-53(62)65-63(41-20-42-64(65)70)69-58-36-14-5-25-47(58)48-26-6-15-37-59(48)69/h1-42H
InChIKeyZCRKNKOYGMAJJM-UHFFFAOYSA-N
MW891.09 g/mol
LogP17.41
Rot. Bonds6

About 9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole

9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole (PubChem CID 177114986) has the molecular formula C66H42N4 and a molecular weight of 891.09 g/mol. Its IUPAC name is 9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole.

Molecular Properties

Compound Name9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole
PubChem CID177114986
Molecular FormulaC66H42N4
Molecular Weight891.09 g/mol
Exact Mass890.34
IUPAC Name9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1
InChIInChI=1S/C66H42N4/c1-10-32-54-43(21-1)44-22-2-11-33-55(44)67(54)60-38-16-7-27-49(60)51-30-19-31-52(50-28-8-17-39-61(50)68-56-34-12-3-23-45(56)46-24-4-13-35-57(46)68)66(51)70-62-40-18-9-29-53(62)65-63(41-20-42-64(65)70)69-58-36-14-5-25-47(58)48-26-6-15-37-59(48)69/h1-42H
InChIKeyZCRKNKOYGMAJJM-UHFFFAOYSA-N
XLogP17.41
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.09
LogP ≤ 517.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole
CID 170374759
3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole
CID 170374891
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
4-carbazol-9-yl-9-(2-methylphenyl)carbazole
CID 174273239
9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958337
1-carbazol-9-yl-9-[2-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 161184610
4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole
CID 140760363
1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
CID 177094947
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-1-yl)carbazole
CID 177094929
9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118422791
3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170224676
4-carbazol-9-yl-9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole
CID 138606200

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole?
The IUPAC name of 9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole (CID 177114986) is 9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole.
What is the SMILES notation for 9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole?
The canonical SMILES for 9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1.
What is the InChIKey of 9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole?
The InChIKey is ZCRKNKOYGMAJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N4/c1-10-32-54-43(21-1)44-22-2-11-33-55(44)67(54)60-38-16-7-27-49(60)51-30-19-31-52(50-28-8-17-39-61(50)68-56-34-12-3-23-45(56)46-24-4-13-35-57(46)68)66(51)70-62-40-18-9-29-53(62)65-63(41-20-42-64(65)70)69-58-36-14-5-25-47(58)48-26-6-15-37-59(48)69/h1-42H.
What are the key properties of 9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole?
9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole has a molecular weight of 891.09 g/mol, XLogP of 17.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole is sourced from PubChem (CID 177114986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).