1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole

C42H33N5O — CID 171769151

IUPAC1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole
SMILESCCc1cccc2c3cccc(CC)c3n(-c3ccnc(-n4c5ccccc5c5ccc(Oc6cccc(-n7cccn7)c6)cc54)c3)c12
InChIInChI=1S/C42H33N5O/c1-3-28-11-7-16-36-37-17-8-12-29(4-2)42(37)46(41(28)36)31-21-23-43-40(26-31)47-38-18-6-5-15-34(38)35-20-19-33(27-39(35)47)48-32-14-9-13-30(25-32)45-24-10-22-44-45/h5-27H,3-4H2,1-2H3
InChIKeyJYLFPAIFMFAFHL-UHFFFAOYSA-N
MW623.76 g/mol
LogP10.38
Rot. Bonds7

About 1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole

1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole (PubChem CID 171769151) has the molecular formula C42H33N5O and a molecular weight of 623.76 g/mol. Its IUPAC name is 1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole.

Molecular Properties

Compound Name1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole
PubChem CID171769151
Molecular FormulaC42H33N5O
Molecular Weight623.76 g/mol
Exact Mass623.27
IUPAC Name1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole
SMILESCCc1cccc2c3cccc(CC)c3n(-c3ccnc(-n4c5ccccc5c5ccc(Oc6cccc(-n7cccn7)c6)cc54)c3)c12
InChIInChI=1S/C42H33N5O/c1-3-28-11-7-16-36-37-17-8-12-29(4-2)42(37)46(41(28)36)31-21-23-43-40(26-31)47-38-18-6-5-15-34(38)35-20-19-33(27-39(35)47)48-32-14-9-13-30(25-32)45-24-10-22-44-45/h5-27H,3-4H2,1-2H3
InChIKeyJYLFPAIFMFAFHL-UHFFFAOYSA-N
XLogP10.38
TPSA49.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
10-[9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]carbazol-2-yl]oxypyrazolo[1,5-f]phenanthridine
CID 171769293
9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3-methyl-4-pyridinyl]-1,8-diethylcarbazole
CID 171769142
1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole
CID 171769380
9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentaethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153413547
2-[3-[4-(2,4-diethyl-6-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153412894
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-bis(3-methylbutyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-propyl-2-pyridinyl)carbazole
CID 153413769
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-bis(2-methylpropyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-methylsulfanyl-2-pyridinyl)carbazole
CID 153413735
2-[3-[4-(2-methyl-6-propylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153413100
2-[3-[4-[2,6-bis(2-methylbutyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153413831

Frequently Asked Questions

What is the IUPAC name of 1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole?
The IUPAC name of 1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole (CID 171769151) is 1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole.
What is the SMILES notation for 1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole?
The canonical SMILES for 1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole is CCc1cccc2c3cccc(CC)c3n(-c3ccnc(-n4c5ccccc5c5ccc(Oc6cccc(-n7cccn7)c6)cc54)c3)c12.
What is the InChIKey of 1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole?
The InChIKey is JYLFPAIFMFAFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N5O/c1-3-28-11-7-16-36-37-17-8-12-29(4-2)42(37)46(41(28)36)31-21-23-43-40(26-31)47-38-18-6-5-15-34(38)35-20-19-33(27-39(35)47)48-32-14-9-13-30(25-32)45-24-10-22-44-45/h5-27H,3-4H2,1-2H3.
What are the key properties of 1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole?
1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole has a molecular weight of 623.76 g/mol, XLogP of 10.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diethyl-9-[2-[2-(3-pyrazol-1-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole is sourced from PubChem (CID 171769151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).