6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]carbazole

C47H52N4O — CID 153441408

IUPAC6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]carbazole
SMILESCCc1nn(-c2cc(Oc3ccc4c5cc(C(C)CC)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)C)c2)c(CC)c1-c1ccccc1
InChIInChI=1S/C47H52N4O/c1-10-31(6)33-18-21-43-40(26-33)39-20-19-37(29-44(39)50(43)45-27-35(22-23-48-45)47(7,8)9)52-38-25-34(30(4)5)24-36(28-38)51-42(12-3)46(41(11-2)49-51)32-16-14-13-15-17-32/h13-31H,10-12H2,1-9H3
InChIKeyNYYMDFBOHIQQIG-UHFFFAOYSA-N
MW688.96 g/mol
LogP12.88
Rot. Bonds10

About 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]carbazole

6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]carbazole (PubChem CID 153441408) has the molecular formula C47H52N4O and a molecular weight of 688.96 g/mol. Its IUPAC name is 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]carbazole.

Molecular Properties

Compound Name6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]carbazole
PubChem CID153441408
Molecular FormulaC47H52N4O
Molecular Weight688.96 g/mol
Exact Mass688.41
IUPAC Name6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]carbazole
SMILESCCc1nn(-c2cc(Oc3ccc4c5cc(C(C)CC)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)C)c2)c(CC)c1-c1ccccc1
InChIInChI=1S/C47H52N4O/c1-10-31(6)33-18-21-43-40(26-33)39-20-19-37(29-44(39)50(43)45-27-35(22-23-48-45)47(7,8)9)52-38-25-34(30(4)5)24-36(28-38)51-42(12-3)46(41(11-2)49-51)32-16-14-13-15-17-32/h13-31H,10-12H2,1-9H3
InChIKeyNYYMDFBOHIQQIG-UHFFFAOYSA-N
XLogP12.88
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.96
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(5-methylhexyl)carbazole
CID 153442107
2-[3-tert-butyl-5-(3,5-diethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(5,5-dimethylhexyl)carbazole
CID 153442270
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)phenoxy]-6-(5-methylhexyl)carbazole
CID 153441678
2-[3-(3-methyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)-5-propan-2-ylphenoxy]-6-propan-2-yl-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153441634
6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(5-ethyl-3-methyl-4-phenylpyrazol-1-yl)-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 153440838
9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)phenoxy]carbazole
CID 153441296
6-butan-2-yl-2-[3-(3,3-dimethylbutyl)-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153441364
2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153415508
2-[3-tert-butyl-5-(3-methyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 153441828
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-(6-methylheptan-2-yl)-1H-carbazol-1-ide;platinum(2+)
CID 153442423
2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole
CID 153415650
2-[3-[5-(3,3-dimethylbutyl)-3-ethyl-4-phenylpyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153415666

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]carbazole?
The IUPAC name of 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]carbazole (CID 153441408) is 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]carbazole.
What is the SMILES notation for 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]carbazole?
The canonical SMILES for 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]carbazole is CCc1nn(-c2cc(Oc3ccc4c5cc(C(C)CC)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)C)c2)c(CC)c1-c1ccccc1.
What is the InChIKey of 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]carbazole?
The InChIKey is NYYMDFBOHIQQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H52N4O/c1-10-31(6)33-18-21-43-40(26-33)39-20-19-37(29-44(39)50(43)45-27-35(22-23-48-45)47(7,8)9)52-38-25-34(30(4)5)24-36(28-38)51-42(12-3)46(41(11-2)49-51)32-16-14-13-15-17-32/h13-31H,10-12H2,1-9H3.
What are the key properties of 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]carbazole?
6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]carbazole has a molecular weight of 688.96 g/mol, XLogP of 12.88, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)-5-propan-2-ylphenoxy]carbazole is sourced from PubChem (CID 153441408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).