3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazole

C53H33N5 — CID 139218401

IUPAC3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazole
SMILESc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)nc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C53H33N5/c1-7-20-44-36(14-1)37-15-2-8-21-45(37)55(44)34-28-30-50-42(32-34)40-18-5-11-24-48(40)57(50)52-26-13-27-53(54-52)58-49-25-12-6-19-41(49)43-33-35(29-31-51(43)58)56-46-22-9-3-16-38(46)39-17-4-10-23-47(39)56/h1-33H
InChIKeyMBKRMJNKZAGZFS-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.47
Rot. Bonds4

About 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazole

3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazole (PubChem CID 139218401) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazole
PubChem CID139218401
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazole
SMILESc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)nc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C53H33N5/c1-7-20-44-36(14-1)37-15-2-8-21-45(37)55(44)34-28-30-50-42(32-34)40-18-5-11-24-48(40)57(50)52-26-13-27-53(54-52)58-49-25-12-6-19-41(49)43-33-35(29-31-51(43)58)56-46-22-9-3-16-38(46)39-17-4-10-23-47(39)56/h1-33H
InChIKeyMBKRMJNKZAGZFS-UHFFFAOYSA-N
XLogP13.47
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazole (CID 139218401) is 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazole is c1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)nc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazole?
The InChIKey is MBKRMJNKZAGZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-7-20-44-36(14-1)37-15-2-8-21-45(37)55(44)34-28-30-50-42(32-34)40-18-5-11-24-48(40)57(50)52-26-13-27-53(54-52)58-49-25-12-6-19-41(49)43-33-35(29-31-51(43)58)56-46-22-9-3-16-38(46)39-17-4-10-23-47(39)56/h1-33H.
What are the key properties of 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazole?
3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazole has a molecular weight of 739.88 g/mol, XLogP of 13.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 139218401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).