3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole

C54H34N4 — CID 167209844

IUPAC3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc32)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C54H34N4/c1-7-21-45-37(15-1)38-16-2-8-22-46(38)55(45)35-29-31-51-43(33-35)41-19-5-9-23-47(41)56(51)36-30-32-52-44(34-36)42-20-6-12-26-50(42)58(52)54-28-14-13-27-53(54)57-48-24-10-3-17-39(48)40-18-4-11-25-49(40)57/h1-34H
InChIKeyVOJAASQUEDUKCU-UHFFFAOYSA-N
MW738.89 g/mol
LogP14.07
Rot. Bonds4

About 3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole

3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole (PubChem CID 167209844) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
PubChem CID167209844
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc32)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C54H34N4/c1-7-21-45-37(15-1)38-16-2-8-22-46(38)55(45)35-29-31-51-43(33-35)41-19-5-9-23-47(41)56(51)36-30-32-52-44(34-36)42-20-6-12-26-50(42)58(52)54-28-14-13-27-53(54)57-48-24-10-3-17-39(48)40-18-4-11-25-49(40)57/h1-34H
InChIKeyVOJAASQUEDUKCU-UHFFFAOYSA-N
XLogP14.07
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
CID 134240254
2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 121274428
3-carbazol-9-yl-9-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831685
3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
CID 134240253
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
5,11-di(triphenylen-2-yl)indolo[3,2-b]carbazole
CID 166009559

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole (CID 167209844) is 3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc32)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole?
The InChIKey is VOJAASQUEDUKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-7-21-45-37(15-1)38-16-2-8-22-46(38)55(45)35-29-31-51-43(33-35)41-19-5-9-23-47(41)56(51)36-30-32-52-44(34-36)42-20-6-12-26-50(42)58(52)54-28-14-13-27-53(54)57-48-24-10-3-17-39(48)40-18-4-11-25-49(40)57/h1-34H.
What are the key properties of 3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole?
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole has a molecular weight of 738.89 g/mol, XLogP of 14.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 167209844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).