2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-pyrimidin-2-ylcarbazole

C50H31N7O2 — CID 138506788

IUPAC2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-pyrimidin-2-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccc(Oc7ccc8c9ccccc9n(-c9ccccn9)c8c7)cc6n(-c6ncccn6)c5c4)cc32)nc1
InChIInChI=1S/C50H31N7O2/c1-3-12-42-36(10-1)38-20-16-32(28-44(38)55(42)48-14-5-7-24-51-48)58-34-18-22-40-41-23-19-35(31-47(41)57(46(40)30-34)50-53-26-9-27-54-50)59-33-17-21-39-37-11-2-4-13-43(37)56(45(39)29-33)49-15-6-8-25-52-49/h1-31H
InChIKeyCLUQAPBVQDYHHP-UHFFFAOYSA-N
MW761.85 g/mol
LogP12.14
Rot. Bonds7

About 2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-pyrimidin-2-ylcarbazole

2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-pyrimidin-2-ylcarbazole (PubChem CID 138506788) has the molecular formula C50H31N7O2 and a molecular weight of 761.85 g/mol. Its IUPAC name is 2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-pyrimidin-2-ylcarbazole.

Molecular Properties

Compound Name2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-pyrimidin-2-ylcarbazole
PubChem CID138506788
Molecular FormulaC50H31N7O2
Molecular Weight761.85 g/mol
Exact Mass761.25
IUPAC Name2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-pyrimidin-2-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccc(Oc7ccc8c9ccccc9n(-c9ccccn9)c8c7)cc6n(-c6ncccn6)c5c4)cc32)nc1
InChIInChI=1S/C50H31N7O2/c1-3-12-42-36(10-1)38-20-16-32(28-44(38)55(42)48-14-5-7-24-51-48)58-34-18-22-40-41-23-19-35(31-47(41)57(46(40)30-34)50-53-26-9-27-54-50)59-33-17-21-39-37-11-2-4-13-43(37)56(45(39)29-33)49-15-6-8-25-52-49/h1-31H
InChIKeyCLUQAPBVQDYHHP-UHFFFAOYSA-N
XLogP12.14
TPSA84.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.85
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-pyrimidin-2-ylcarbazole?
The IUPAC name of 2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-pyrimidin-2-ylcarbazole (CID 138506788) is 2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-pyrimidin-2-ylcarbazole.
What is the SMILES notation for 2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-pyrimidin-2-ylcarbazole?
The canonical SMILES for 2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-pyrimidin-2-ylcarbazole is c1ccc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccc(Oc7ccc8c9ccccc9n(-c9ccccn9)c8c7)cc6n(-c6ncccn6)c5c4)cc32)nc1.
What is the InChIKey of 2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-pyrimidin-2-ylcarbazole?
The InChIKey is CLUQAPBVQDYHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N7O2/c1-3-12-42-36(10-1)38-20-16-32(28-44(38)55(42)48-14-5-7-24-51-48)58-34-18-22-40-41-23-19-35(31-47(41)57(46(40)30-34)50-53-26-9-27-54-50)59-33-17-21-39-37-11-2-4-13-43(37)56(45(39)29-33)49-15-6-8-25-52-49/h1-31H.
What are the key properties of 2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-pyrimidin-2-ylcarbazole?
2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-pyrimidin-2-ylcarbazole has a molecular weight of 761.85 g/mol, XLogP of 12.14, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-pyrimidin-2-ylcarbazole is sourced from PubChem (CID 138506788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).