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

C47H35FN4O3 — CID 153413623

IUPAC9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole
SMILESCc1c(C)c(Oc2ccccc2)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(Oc2ccccc2)c1C
InChIInChI=1S/C47H35FN4O3/c1-30-31(2)46(54-36-14-6-4-7-15-36)45(47(32(30)3)55-37-16-8-5-9-17-37)33-28-50-51(29-33)35-13-12-18-38(26-35)53-39-21-22-41-40-19-10-11-20-42(40)52(43(41)27-39)44-25-34(48)23-24-49-44/h4-29H,1-3H3
InChIKeyYNRZVFDGWBAAMC-UHFFFAOYSA-N
MW722.82 g/mol
LogP12.47
Rot. Bonds9

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

9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole (PubChem CID 153413623) has the molecular formula C47H35FN4O3 and a molecular weight of 722.82 g/mol. Its IUPAC name is 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole.

Molecular Properties

Compound Name9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole
PubChem CID153413623
Molecular FormulaC47H35FN4O3
Molecular Weight722.82 g/mol
Exact Mass722.27
IUPAC Name9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole
SMILESCc1c(C)c(Oc2ccccc2)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(Oc2ccccc2)c1C
InChIInChI=1S/C47H35FN4O3/c1-30-31(2)46(54-36-14-6-4-7-15-36)45(47(32(30)3)55-37-16-8-5-9-17-37)33-28-50-51(29-33)35-13-12-18-38(26-35)53-39-21-22-41-40-19-10-11-20-42(40)52(43(41)27-39)44-25-34(48)23-24-49-44/h4-29H,1-3H3
InChIKeyYNRZVFDGWBAAMC-UHFFFAOYSA-N
XLogP12.47
TPSA63.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.82
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-Ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole
CID 162661365
8-[[3-Fluoro-5-(4-methoxy-2,3-dihydrochromen-4-yl)phenyl]methoxy]-5-imidazol-1-yl-[1,2,4]triazolo[4,3-a]quinazoline
CID 68346181
2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)phenoxy)-9-(4-fluoropyridin-2-yl)-9H-carbazole
CID 86343982
2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)phenoxy)-9-(4-(trifluoromethyl)pyridin-2-yl)-9H-carbazole
CID 86344155
2-[4-[8-fluoro-5-methyl-7-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-6-yl]-1,6-dimethyl-2-[2-(1-methylindazol-6-yl)-4-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid
CID 123526714
2-[7-fluoro-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxyindol-3-yl]-4-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine
CID 123675901
2-[3-(3,5-Dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)pyridin-2-yl]carbazole;platinum
CID 162196540
2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 173559430
9-(4-Fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole
CID 86343413
2-[3-(4-Phenylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole
CID 86343603
4-Fluoro-2-[3-(4-fluoro-9-pyridin-2-ylcarbazol-2-yl)oxy-5-pyrimidin-2-ylphenoxy]-9-pyridin-2-ylcarbazole
CID 141636566
2-[2-Fluoro-3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(1,3,5-triazin-2-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 141636584

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole?
The IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole (CID 153413623) is 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)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-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole?
The canonical SMILES for 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole is Cc1c(C)c(Oc2ccccc2)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(Oc2ccccc2)c1C.
What is the InChIKey of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole?
The InChIKey is YNRZVFDGWBAAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35FN4O3/c1-30-31(2)46(54-36-14-6-4-7-15-36)45(47(32(30)3)55-37-16-8-5-9-17-37)33-28-50-51(29-33)35-13-12-18-38(26-35)53-39-21-22-41-40-19-10-11-20-42(40)52(43(41)27-39)44-25-34(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-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole?
9-(4-fluoro-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole has a molecular weight of 722.82 g/mol, XLogP of 12.47, 9 rotatable bonds, 0 hydrogen bond donors, and 7 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-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 153413623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).