9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]carbazole

C47H35FN4O — CID 153412790

IUPAC9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]carbazole
SMILESCc1c(C)c(-c2ccccc2)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(-c2ccccc2)c1C
InChIInChI=1S/C47H35FN4O/c1-30-31(2)45(33-13-6-4-7-14-33)47(46(32(30)3)34-15-8-5-9-16-34)35-28-50-51(29-35)37-17-12-18-38(26-37)53-39-21-22-41-40-19-10-11-20-42(40)52(43(41)27-39)44-25-36(48)23-24-49-44/h4-29H,1-3H3
InChIKeyUZOURNHPCJQUOY-UHFFFAOYSA-N
MW690.82 g/mol
LogP12.22
Rot. Bonds7

About 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]carbazole

9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]carbazole (PubChem CID 153412790) has the molecular formula C47H35FN4O and a molecular weight of 690.82 g/mol. Its IUPAC name is 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]carbazole.

Molecular Properties

Compound Name9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]carbazole
PubChem CID153412790
Molecular FormulaC47H35FN4O
Molecular Weight690.82 g/mol
Exact Mass690.28
IUPAC Name9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]carbazole
SMILESCc1c(C)c(-c2ccccc2)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(-c2ccccc2)c1C
InChIInChI=1S/C47H35FN4O/c1-30-31(2)45(33-13-6-4-7-14-33)47(46(32(30)3)34-15-8-5-9-16-34)35-28-50-51(29-35)37-17-12-18-38(26-37)53-39-21-22-41-40-19-10-11-20-42(40)52(43(41)27-39)44-25-36(48)23-24-49-44/h4-29H,1-3H3
InChIKeyUZOURNHPCJQUOY-UHFFFAOYSA-N
XLogP12.22
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.82
LogP ≤ 512.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-Fluoro-6-methoxyphenyl)-1-(6-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 162659515
US10954240, Example 42
CID 118930246
US10954240, Example 43
CID 118930247
6-Methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
CID 121224994
US10954240, Example 24
CID 118930222
US10954240, Example 35
CID 118930223
US10954240, Example 37
CID 118930227
US10954240, Example 34
CID 118930235
US10954240, Example 38
CID 118930239
US10954240, Example 26
CID 118930310
US11247990, Example 381
CID 138715669
US10918645, Example 66
CID 153437694

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]carbazole?
The IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]carbazole (CID 153412790) is 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]carbazole.
What is the SMILES notation for 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]carbazole?
The canonical SMILES for 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]carbazole is Cc1c(C)c(-c2ccccc2)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(-c2ccccc2)c1C.
What is the InChIKey of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]carbazole?
The InChIKey is UZOURNHPCJQUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35FN4O/c1-30-31(2)45(33-13-6-4-7-14-33)47(46(32(30)3)34-15-8-5-9-16-34)35-28-50-51(29-35)37-17-12-18-38(26-37)53-39-21-22-41-40-19-10-11-20-42(40)52(43(41)27-39)44-25-36(48)23-24-49-44/h4-29H,1-3H3.
What are the key properties of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]carbazole?
9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]carbazole has a molecular weight of 690.82 g/mol, XLogP of 12.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 153412790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).