2-[3-[4-(2,4-diethyl-6-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole

C38H34N4O — CID 153412894

IUPAC2-[3-[4-(2,4-diethyl-6-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
SMILESCCc1cc(C)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C)ccn6)c5c4)c3)c2)c(CC)c1
InChIInChI=1S/C38H34N4O/c1-5-27-19-26(4)38(28(6-2)20-27)29-23-40-41(24-29)30-10-9-11-31(21-30)43-32-14-15-34-33-12-7-8-13-35(33)42(36(34)22-32)37-18-25(3)16-17-39-37/h7-24H,5-6H2,1-4H3
InChIKeyQXRPVWOENISKIJ-UHFFFAOYSA-N
MW562.72 g/mol
LogP9.57
Rot. Bonds7

About 2-[3-[4-(2,4-diethyl-6-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole

2-[3-[4-(2,4-diethyl-6-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole (PubChem CID 153412894) has the molecular formula C38H34N4O and a molecular weight of 562.72 g/mol. Its IUPAC name is 2-[3-[4-(2,4-diethyl-6-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[4-(2,4-diethyl-6-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
PubChem CID153412894
Molecular FormulaC38H34N4O
Molecular Weight562.72 g/mol
Exact Mass562.27
IUPAC Name2-[3-[4-(2,4-diethyl-6-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
SMILESCCc1cc(C)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C)ccn6)c5c4)c3)c2)c(CC)c1
InChIInChI=1S/C38H34N4O/c1-5-27-19-26(4)38(28(6-2)20-27)29-23-40-41(24-29)30-10-9-11-31(21-30)43-32-14-15-34-33-12-7-8-13-35(33)42(36(34)22-32)37-18-25(3)16-17-39-37/h7-24H,5-6H2,1-4H3
InChIKeyQXRPVWOENISKIJ-UHFFFAOYSA-N
XLogP9.57
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-(2,6-diethyl-4-propylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153414216
2-[3-[4-[2,6-diethyl-4-(2-methylpropyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153413869
2-[3-[4-[2,6-dimethyl-4-(2-methylpropyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153413881
9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentaethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153413547
2-[3-[4-(2-methyl-6-propylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153413100
2-[3-[4-[2,6-diethyl-3,4-bis(2-methylpropyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153414996
2-[3-[4-[4-(2-methylpropyl)-2,6-dipropylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153414200
2-[3-[4-[2,6-bis(2-methylbutyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153413831
9-(4-methyl-2-pyridinyl)-2-[3-[4-[3,4,5-triethyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]carbazole
CID 153413645
2-[3-[4-(2,6-ditert-butyl-4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153414490
1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine
CID 153413011
1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine
CID 153414281

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,4-diethyl-6-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[4-(2,4-diethyl-6-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole (CID 153412894) is 2-[3-[4-(2,4-diethyl-6-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[4-(2,4-diethyl-6-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[4-(2,4-diethyl-6-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole is CCc1cc(C)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C)ccn6)c5c4)c3)c2)c(CC)c1.
What is the InChIKey of 2-[3-[4-(2,4-diethyl-6-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
The InChIKey is QXRPVWOENISKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4O/c1-5-27-19-26(4)38(28(6-2)20-27)29-23-40-41(24-29)30-10-9-11-31(21-30)43-32-14-15-34-33-12-7-8-13-35(33)42(36(34)22-32)37-18-25(3)16-17-39-37/h7-24H,5-6H2,1-4H3.
What are the key properties of 2-[3-[4-(2,4-diethyl-6-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
2-[3-[4-(2,4-diethyl-6-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole has a molecular weight of 562.72 g/mol, XLogP of 9.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,4-diethyl-6-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole is sourced from PubChem (CID 153412894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).