2-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyrimidin-2-ylphenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole

C46H29F3N6O2 — CID 157179162

IUPAC2-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyrimidin-2-ylphenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole
SMILESCc1ccnc(-n2c3ccccc3c3ccc(Oc4cc(Oc5ccc6c7ccccc7n(-c7cc(C(F)(F)F)ccn7)c6c5)cc(-c5ncccn5)c4)cc32)c1
InChIInChI=1S/C46H29F3N6O2/c1-28-15-19-50-43(21-28)54-39-9-4-2-7-35(39)37-13-11-31(26-41(37)54)56-33-22-29(45-52-17-6-18-53-45)23-34(25-33)57-32-12-14-38-36-8-3-5-10-40(36)55(42(38)27-32)44-24-30(16-20-51-44)46(47,48)49/h2-27H,1H3
InChIKeyBTLPCEKBSRZORP-UHFFFAOYSA-N
MW754.77 g/mol
LogP12.04
Rot. Bonds7

About 2-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyrimidin-2-ylphenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole

2-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyrimidin-2-ylphenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole (PubChem CID 157179162) has the molecular formula C46H29F3N6O2 and a molecular weight of 754.77 g/mol. Its IUPAC name is 2-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyrimidin-2-ylphenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyrimidin-2-ylphenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole
PubChem CID157179162
Molecular FormulaC46H29F3N6O2
Molecular Weight754.77 g/mol
Exact Mass754.23
IUPAC Name2-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyrimidin-2-ylphenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole
SMILESCc1ccnc(-n2c3ccccc3c3ccc(Oc4cc(Oc5ccc6c7ccccc7n(-c7cc(C(F)(F)F)ccn7)c6c5)cc(-c5ncccn5)c4)cc32)c1
InChIInChI=1S/C46H29F3N6O2/c1-28-15-19-50-43(21-28)54-39-9-4-2-7-35(39)37-13-11-31(26-41(37)54)56-33-22-29(45-52-17-6-18-53-45)23-34(25-33)57-32-12-14-38-36-8-3-5-10-40(36)55(42(38)27-32)44-24-30(16-20-51-44)46(47,48)49/h2-27H,1H3
InChIKeyBTLPCEKBSRZORP-UHFFFAOYSA-N
XLogP12.04
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.77
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine
CID 157068270
2-[3-[5-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 158912779
2-(3-tert-butyl-5-pyridin-2-ylphenoxy)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158919031
6-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-11-methyltetrazolo[1,5-f]phenanthridine
CID 153411451
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153415395
2-[3-(5-methyl-5-pyridin-2-ylbenzo[b][1]benzosilol-3-yl)oxy-5-pyrimidin-2-ylphenoxy]-9-pyridin-2-ylcarbazole
CID 160876596
9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 177105125
2-[3-tert-butyl-5-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153415504
2-[3-tert-butyl-5-[4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153443254
5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole
CID 140884641
2-[3-[3,5-dimethyl-4-(2,4,6-tritert-butylphenyl)pyrazol-1-yl]-5-methylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153443430

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyrimidin-2-ylphenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole?
The IUPAC name of 2-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyrimidin-2-ylphenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole (CID 157179162) is 2-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyrimidin-2-ylphenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyrimidin-2-ylphenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole?
The canonical SMILES for 2-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyrimidin-2-ylphenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole is Cc1ccnc(-n2c3ccccc3c3ccc(Oc4cc(Oc5ccc6c7ccccc7n(-c7cc(C(F)(F)F)ccn7)c6c5)cc(-c5ncccn5)c4)cc32)c1.
What is the InChIKey of 2-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyrimidin-2-ylphenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole?
The InChIKey is BTLPCEKBSRZORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29F3N6O2/c1-28-15-19-50-43(21-28)54-39-9-4-2-7-35(39)37-13-11-31(26-41(37)54)56-33-22-29(45-52-17-6-18-53-45)23-34(25-33)57-32-12-14-38-36-8-3-5-10-40(36)55(42(38)27-32)44-24-30(16-20-51-44)46(47,48)49/h2-27H,1H3.
What are the key properties of 2-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyrimidin-2-ylphenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole?
2-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyrimidin-2-ylphenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole has a molecular weight of 754.77 g/mol, XLogP of 12.04, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyrimidin-2-ylphenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 157179162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).