2-(4-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-7-[9-pyridin-2-yl-4-(trifluoromethyl)carbazol-2-yl]oxy-9-pyrimidin-2-ylcarbazole

C52H32F3N7O2 — CID 161053597

IUPAC2-(4-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-7-[9-pyridin-2-yl-4-(trifluoromethyl)carbazol-2-yl]oxy-9-pyrimidin-2-ylcarbazole
SMILESCc1cc(Oc2ccc3c4ccc(Oc5cc(C(F)(F)F)c6c7ccccc7n(-c7ccccn7)c6c5)cc4n(-c4ncccn4)c3c2)cc2c1c1ccccc1n2-c1ccccn1
InChIInChI=1S/C52H32F3N7O2/c1-31-25-34(29-45-49(31)38-11-2-4-13-41(38)60(45)47-15-6-8-21-56-47)63-32-17-19-36-37-20-18-33(28-44(37)62(43(36)27-32)51-58-23-10-24-59-51)64-35-26-40(52(53,54)55)50-39-12-3-5-14-42(39)61(46(50)30-35)48-16-7-9-22-57-48/h2-30H,1H3
InChIKeyKRNQFCNISAVVAC-UHFFFAOYSA-N
MW843.87 g/mol
LogP13.47
Rot. Bonds7

About 2-(4-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-7-[9-pyridin-2-yl-4-(trifluoromethyl)carbazol-2-yl]oxy-9-pyrimidin-2-ylcarbazole

2-(4-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-7-[9-pyridin-2-yl-4-(trifluoromethyl)carbazol-2-yl]oxy-9-pyrimidin-2-ylcarbazole (PubChem CID 161053597) has the molecular formula C52H32F3N7O2 and a molecular weight of 843.87 g/mol. Its IUPAC name is 2-(4-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-7-[9-pyridin-2-yl-4-(trifluoromethyl)carbazol-2-yl]oxy-9-pyrimidin-2-ylcarbazole.

Molecular Properties

Compound Name2-(4-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-7-[9-pyridin-2-yl-4-(trifluoromethyl)carbazol-2-yl]oxy-9-pyrimidin-2-ylcarbazole
PubChem CID161053597
Molecular FormulaC52H32F3N7O2
Molecular Weight843.87 g/mol
Exact Mass843.26
IUPAC Name2-(4-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-7-[9-pyridin-2-yl-4-(trifluoromethyl)carbazol-2-yl]oxy-9-pyrimidin-2-ylcarbazole
SMILESCc1cc(Oc2ccc3c4ccc(Oc5cc(C(F)(F)F)c6c7ccccc7n(-c7ccccn7)c6c5)cc4n(-c4ncccn4)c3c2)cc2c1c1ccccc1n2-c1ccccn1
InChIInChI=1S/C52H32F3N7O2/c1-31-25-34(29-45-49(31)38-11-2-4-13-41(38)60(45)47-15-6-8-21-56-47)63-32-17-19-36-37-20-18-33(28-44(37)62(43(36)27-32)51-58-23-10-24-59-51)64-35-26-40(52(53,54)55)50-39-12-3-5-14-42(39)61(46(50)30-35)48-16-7-9-22-57-48/h2-30H,1H3
InChIKeyKRNQFCNISAVVAC-UHFFFAOYSA-N
XLogP13.47
TPSA84.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.87
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-7-[9-pyridin-2-yl-4-(trifluoromethyl)carbazol-2-yl]oxy-9-pyrimidin-2-ylcarbazole?
The IUPAC name of 2-(4-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-7-[9-pyridin-2-yl-4-(trifluoromethyl)carbazol-2-yl]oxy-9-pyrimidin-2-ylcarbazole (CID 161053597) is 2-(4-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-7-[9-pyridin-2-yl-4-(trifluoromethyl)carbazol-2-yl]oxy-9-pyrimidin-2-ylcarbazole.
What is the SMILES notation for 2-(4-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-7-[9-pyridin-2-yl-4-(trifluoromethyl)carbazol-2-yl]oxy-9-pyrimidin-2-ylcarbazole?
The canonical SMILES for 2-(4-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-7-[9-pyridin-2-yl-4-(trifluoromethyl)carbazol-2-yl]oxy-9-pyrimidin-2-ylcarbazole is Cc1cc(Oc2ccc3c4ccc(Oc5cc(C(F)(F)F)c6c7ccccc7n(-c7ccccn7)c6c5)cc4n(-c4ncccn4)c3c2)cc2c1c1ccccc1n2-c1ccccn1.
What is the InChIKey of 2-(4-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-7-[9-pyridin-2-yl-4-(trifluoromethyl)carbazol-2-yl]oxy-9-pyrimidin-2-ylcarbazole?
The InChIKey is KRNQFCNISAVVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32F3N7O2/c1-31-25-34(29-45-49(31)38-11-2-4-13-41(38)60(45)47-15-6-8-21-56-47)63-32-17-19-36-37-20-18-33(28-44(37)62(43(36)27-32)51-58-23-10-24-59-51)64-35-26-40(52(53,54)55)50-39-12-3-5-14-42(39)61(46(50)30-35)48-16-7-9-22-57-48/h2-30H,1H3.
What are the key properties of 2-(4-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-7-[9-pyridin-2-yl-4-(trifluoromethyl)carbazol-2-yl]oxy-9-pyrimidin-2-ylcarbazole?
2-(4-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-7-[9-pyridin-2-yl-4-(trifluoromethyl)carbazol-2-yl]oxy-9-pyrimidin-2-ylcarbazole has a molecular weight of 843.87 g/mol, XLogP of 13.47, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-7-[9-pyridin-2-yl-4-(trifluoromethyl)carbazol-2-yl]oxy-9-pyrimidin-2-ylcarbazole is sourced from PubChem (CID 161053597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).