2-[3-[3,5-bis(3-methylphenyl)pyrazol-1-yl]dibenzofuran-1-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole

C55H42N4O2 — CID 163816447

IUPAC2-[3-[3,5-bis(3-methylphenyl)pyrazol-1-yl]dibenzofuran-1-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
SMILESCc1cccc(-c2cc(-c3cccc(C)c3)n(-c3cc(Oc4ccc5c6ccccc6n(-c6cc(-c7c(C)cc(C)cc7C)ccn6)c5c4)c4c(c3)oc3ccccc34)n2)c1
InChIInChI=1S/C55H42N4O2/c1-33-12-10-14-38(26-33)46-32-48(39-15-11-13-34(2)27-39)59(57-46)41-29-51(55-45-17-7-9-19-50(45)61-52(55)30-41)60-42-20-21-44-43-16-6-8-18-47(43)58(49(44)31-42)53-28-40(22-23-56-53)54-36(4)24-35(3)25-37(54)5/h6-32H,1-5H3
InChIKeyUJMMKOUAQNXREH-UHFFFAOYSA-N
MW790.97 g/mol
LogP14.60
Rot. Bonds7

About 2-[3-[3,5-bis(3-methylphenyl)pyrazol-1-yl]dibenzofuran-1-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole

2-[3-[3,5-bis(3-methylphenyl)pyrazol-1-yl]dibenzofuran-1-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole (PubChem CID 163816447) has the molecular formula C55H42N4O2 and a molecular weight of 790.97 g/mol. Its IUPAC name is 2-[3-[3,5-bis(3-methylphenyl)pyrazol-1-yl]dibenzofuran-1-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[3-[3,5-bis(3-methylphenyl)pyrazol-1-yl]dibenzofuran-1-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
PubChem CID163816447
Molecular FormulaC55H42N4O2
Molecular Weight790.97 g/mol
Exact Mass790.33
IUPAC Name2-[3-[3,5-bis(3-methylphenyl)pyrazol-1-yl]dibenzofuran-1-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
SMILESCc1cccc(-c2cc(-c3cccc(C)c3)n(-c3cc(Oc4ccc5c6ccccc6n(-c6cc(-c7c(C)cc(C)cc7C)ccn6)c5c4)c4c(c3)oc3ccccc34)n2)c1
InChIInChI=1S/C55H42N4O2/c1-33-12-10-14-38(26-33)46-32-48(39-15-11-13-34(2)27-39)59(57-46)41-29-51(55-45-17-7-9-19-50(45)61-52(55)30-41)60-42-20-21-44-43-16-6-8-18-47(43)58(49(44)31-42)53-28-40(22-23-56-53)54-36(4)24-35(3)25-37(54)5/h6-32H,1-5H3
InChIKeyUJMMKOUAQNXREH-UHFFFAOYSA-N
XLogP14.60
TPSA58.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-(2-phenylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-4-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
CID 163523231
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole
CID 90290347
5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole
CID 176782478
9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 177105125
9-(4-tert-butyl-2-pyridinyl)-2-[1-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-3-yl]oxycarbazole
CID 170524035
2-[3-[5-tert-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153443569
5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole
CID 140884641
2-[3-[3,5-bis(ethylsulfanyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153418075
2-[3-[3,5-dimethyl-4-(4-methyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153416946
2-[3-[4-(2,6-dimethyl-4-pyridin-2-ylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153416511
2-[3-[3,5-bis(methylsulfanyl)-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153416964
2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylphenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153415572

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-bis(3-methylphenyl)pyrazol-1-yl]dibenzofuran-1-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole?
The IUPAC name of 2-[3-[3,5-bis(3-methylphenyl)pyrazol-1-yl]dibenzofuran-1-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole (CID 163816447) is 2-[3-[3,5-bis(3-methylphenyl)pyrazol-1-yl]dibenzofuran-1-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[3-[3,5-bis(3-methylphenyl)pyrazol-1-yl]dibenzofuran-1-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole?
The canonical SMILES for 2-[3-[3,5-bis(3-methylphenyl)pyrazol-1-yl]dibenzofuran-1-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole is Cc1cccc(-c2cc(-c3cccc(C)c3)n(-c3cc(Oc4ccc5c6ccccc6n(-c6cc(-c7c(C)cc(C)cc7C)ccn6)c5c4)c4c(c3)oc3ccccc34)n2)c1.
What is the InChIKey of 2-[3-[3,5-bis(3-methylphenyl)pyrazol-1-yl]dibenzofuran-1-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole?
The InChIKey is UJMMKOUAQNXREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N4O2/c1-33-12-10-14-38(26-33)46-32-48(39-15-11-13-34(2)27-39)59(57-46)41-29-51(55-45-17-7-9-19-50(45)61-52(55)30-41)60-42-20-21-44-43-16-6-8-18-47(43)58(49(44)31-42)53-28-40(22-23-56-53)54-36(4)24-35(3)25-37(54)5/h6-32H,1-5H3.
What are the key properties of 2-[3-[3,5-bis(3-methylphenyl)pyrazol-1-yl]dibenzofuran-1-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole?
2-[3-[3,5-bis(3-methylphenyl)pyrazol-1-yl]dibenzofuran-1-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole has a molecular weight of 790.97 g/mol, XLogP of 14.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-bis(3-methylphenyl)pyrazol-1-yl]dibenzofuran-1-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 163816447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).