9-(3-carbazol-9-ylphenyl)-3-[5-(4-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]carbazole

C52H33N5 — CID 71278041

IUPAC9-(3-carbazol-9-ylphenyl)-3-[5-(4-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-c4cncc(-c5cc(-n6c7ccccc7c7ccccc76)ccn5)c4)ccc32)c1
InChIInChI=1S/C52H33N5/c1-6-19-47-40(14-1)41-15-2-7-20-48(41)55(47)37-12-11-13-38(30-37)56-51-23-10-5-18-44(51)45-29-34(24-25-52(45)56)35-28-36(33-53-32-35)46-31-39(26-27-54-46)57-49-21-8-3-16-42(49)43-17-4-9-22-50(43)57/h1-33H
InChIKeyQJZDQYODCXGQTJ-UHFFFAOYSA-N
MW727.87 g/mol
LogP13.10
Rot. Bonds5

About 9-(3-carbazol-9-ylphenyl)-3-[5-(4-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]carbazole

9-(3-carbazol-9-ylphenyl)-3-[5-(4-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]carbazole (PubChem CID 71278041) has the molecular formula C52H33N5 and a molecular weight of 727.87 g/mol. Its IUPAC name is 9-(3-carbazol-9-ylphenyl)-3-[5-(4-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]carbazole.

Molecular Properties

Compound Name9-(3-carbazol-9-ylphenyl)-3-[5-(4-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]carbazole
PubChem CID71278041
Molecular FormulaC52H33N5
Molecular Weight727.87 g/mol
Exact Mass727.27
IUPAC Name9-(3-carbazol-9-ylphenyl)-3-[5-(4-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-c4cncc(-c5cc(-n6c7ccccc7c7ccccc76)ccn5)c4)ccc32)c1
InChIInChI=1S/C52H33N5/c1-6-19-47-40(14-1)41-15-2-7-20-48(41)55(47)37-12-11-13-38(30-37)56-51-23-10-5-18-44(51)45-29-34(24-25-52(45)56)35-28-36(33-53-32-35)46-31-39(26-27-54-46)57-49-21-8-3-16-42(49)43-17-4-9-22-50(43)57/h1-33H
InChIKeyQJZDQYODCXGQTJ-UHFFFAOYSA-N
XLogP13.10
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(3-carbazol-9-ylphenyl)-3-[5-(4-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]carbazole?
The IUPAC name of 9-(3-carbazol-9-ylphenyl)-3-[5-(4-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]carbazole (CID 71278041) is 9-(3-carbazol-9-ylphenyl)-3-[5-(4-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]carbazole.
What is the SMILES notation for 9-(3-carbazol-9-ylphenyl)-3-[5-(4-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]carbazole?
The canonical SMILES for 9-(3-carbazol-9-ylphenyl)-3-[5-(4-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]carbazole is c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-c4cncc(-c5cc(-n6c7ccccc7c7ccccc76)ccn5)c4)ccc32)c1.
What is the InChIKey of 9-(3-carbazol-9-ylphenyl)-3-[5-(4-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]carbazole?
The InChIKey is QJZDQYODCXGQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5/c1-6-19-47-40(14-1)41-15-2-7-20-48(41)55(47)37-12-11-13-38(30-37)56-51-23-10-5-18-44(51)45-29-34(24-25-52(45)56)35-28-36(33-53-32-35)46-31-39(26-27-54-46)57-49-21-8-3-16-42(49)43-17-4-9-22-50(43)57/h1-33H.
What are the key properties of 9-(3-carbazol-9-ylphenyl)-3-[5-(4-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]carbazole?
9-(3-carbazol-9-ylphenyl)-3-[5-(4-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]carbazole has a molecular weight of 727.87 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-carbazol-9-ylphenyl)-3-[5-(4-carbazol-9-yl-2-pyridinyl)-3-pyridinyl]carbazole is sourced from PubChem (CID 71278041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).