3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole

C54H33N3 — CID 134240254

IUPAC3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
SMILESc1ccc2c(c1)c1ccccc1c1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)ccc43)ccc21
InChIInChI=1S/C54H33N3/c1-2-16-38-36(14-1)37-15-3-4-17-39(37)45-32-34(28-30-40(38)45)55-47-22-9-7-20-43(47)46-33-35(29-31-51(46)55)56-50-25-12-8-21-44(50)54-52(56)26-13-27-53(54)57-48-23-10-5-18-41(48)42-19-6-11-24-49(42)57/h1-33H
InChIKeyASYHKVYWLSGZMG-UHFFFAOYSA-N
MW723.88 g/mol
LogP14.44
Rot. Bonds3

About 3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole

3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole (PubChem CID 134240254) has the molecular formula C54H33N3 and a molecular weight of 723.88 g/mol. Its IUPAC name is 3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole.

Molecular Properties

Compound Name3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
PubChem CID134240254
Molecular FormulaC54H33N3
Molecular Weight723.88 g/mol
Exact Mass723.27
IUPAC Name3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
SMILESc1ccc2c(c1)c1ccccc1c1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)ccc43)ccc21
InChIInChI=1S/C54H33N3/c1-2-16-38-36(14-1)37-15-3-4-17-39(37)45-32-34(28-30-40(38)45)55-47-22-9-7-20-43(47)46-33-35(29-31-51(46)55)56-50-25-12-8-21-44(50)54-52(56)26-13-27-53(54)57-48-23-10-5-18-41(48)42-19-6-11-24-49(42)57/h1-33H
InChIKeyASYHKVYWLSGZMG-UHFFFAOYSA-N
XLogP14.44
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.88
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
CID 134240253
11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
CID 170268295
3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole
CID 170374855
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-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659651
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole
CID 170374891
2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 121274428
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
3-carbazol-9-yl-9-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831685
3-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 165075312

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole?
The IUPAC name of 3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole (CID 134240254) is 3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole.
What is the SMILES notation for 3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole?
The canonical SMILES for 3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole is c1ccc2c(c1)c1ccccc1c1cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)ccc43)ccc21.
What is the InChIKey of 3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole?
The InChIKey is ASYHKVYWLSGZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3/c1-2-16-38-36(14-1)37-15-3-4-17-39(37)45-32-34(28-30-40(38)45)55-47-22-9-7-20-43(47)46-33-35(29-31-51(46)55)56-50-25-12-8-21-44(50)54-52(56)26-13-27-53(54)57-48-23-10-5-18-41(48)42-19-6-11-24-49(42)57/h1-33H.
What are the key properties of 3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole?
3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole has a molecular weight of 723.88 g/mol, XLogP of 14.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole is sourced from PubChem (CID 134240254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).