9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[(6S)-2,6-diphenylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]carbazole

C53H52N4O — CID 153416968

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[(6S)-2,6-diphenylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]carbazole
SMILESCCc1nn(-c2cc(C)cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c(CC)c1C1C(c2ccccc2)=CCC[C@@H]1c1ccccc1
InChIInChI=1S/C53H52N4O/c1-7-46-52(51-42(36-18-11-9-12-19-36)23-17-24-43(51)37-20-13-10-14-21-37)47(8-2)57(55-46)39-30-35(3)31-41(33-39)58-40-26-27-45-44-22-15-16-25-48(44)56(49(45)34-40)50-32-38(28-29-54-50)53(4,5)6/h9-16,18-23,25-34,43,51H,7-8,17,24H2,1-6H3/t43-,51?/m1/s1
InChIKeyWNUVHIVCWJMMLT-KYNVYPTLSA-N
MW761.03 g/mol
LogP13.63
Rot. Bonds9

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[(6S)-2,6-diphenylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[(6S)-2,6-diphenylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]carbazole (PubChem CID 153416968) has the molecular formula C53H52N4O and a molecular weight of 761.03 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[(6S)-2,6-diphenylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[(6S)-2,6-diphenylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]carbazole
PubChem CID153416968
Molecular FormulaC53H52N4O
Molecular Weight761.03 g/mol
Exact Mass760.41
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[(6S)-2,6-diphenylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]carbazole
SMILESCCc1nn(-c2cc(C)cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c(CC)c1C1C(c2ccccc2)=CCC[C@@H]1c1ccccc1
InChIInChI=1S/C53H52N4O/c1-7-46-52(51-42(36-18-11-9-12-19-36)23-17-24-43(51)37-20-13-10-14-21-37)47(8-2)57(55-46)39-30-35(3)31-41(33-39)58-40-26-27-45-44-22-15-16-25-48(44)56(49(45)34-40)50-32-38(28-29-54-50)53(4,5)6/h9-16,18-23,25-34,43,51H,7-8,17,24H2,1-6H3/t43-,51?/m1/s1
InChIKeyWNUVHIVCWJMMLT-KYNVYPTLSA-N
XLogP13.63
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.03
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[(6S)-2,6-diphenylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]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-[4-[(1S,6S)-2,6-diphenylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-methylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 157108878
2-[3-tert-butyl-5-[4-[(6S)-2,6-diethylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]phenoxy]-9-(4-propyl-2-pyridinyl)carbazole
CID 153416740
2-[3-tert-butyl-5-[5-butyl-4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3-methylpyrazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153416031
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
2-[3-[4-(2,6-dimethylphenyl)-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153443025
2-[3-tert-butyl-5-[3,5-dipropyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]phenoxy]-9-(4-ethyl-2-pyridinyl)carbazole
CID 153416223
2-[3-tert-butyl-5-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153415504
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
2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153442884
9-(4-butyl-2-pyridinyl)-2-[3-[4-[(6S)-2,6-diethylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole
CID 153417195
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[(1R)-2,6-ditert-butylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylphenoxy]carbazole
CID 159193312

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[(6S)-2,6-diphenylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[(6S)-2,6-diphenylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]carbazole (CID 153416968) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[(6S)-2,6-diphenylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[(6S)-2,6-diphenylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[(6S)-2,6-diphenylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]carbazole is CCc1nn(-c2cc(C)cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c(CC)c1C1C(c2ccccc2)=CCC[C@@H]1c1ccccc1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[(6S)-2,6-diphenylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]carbazole?
The InChIKey is WNUVHIVCWJMMLT-KYNVYPTLSA-N. The full InChI is InChI=1S/C53H52N4O/c1-7-46-52(51-42(36-18-11-9-12-19-36)23-17-24-43(51)37-20-13-10-14-21-37)47(8-2)57(55-46)39-30-35(3)31-41(33-39)58-40-26-27-45-44-22-15-16-25-48(44)56(49(45)34-40)50-32-38(28-29-54-50)53(4,5)6/h9-16,18-23,25-34,43,51H,7-8,17,24H2,1-6H3/t43-,51?/m1/s1.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[(6S)-2,6-diphenylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[(6S)-2,6-diphenylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]carbazole has a molecular weight of 761.03 g/mol, XLogP of 13.63, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[(6S)-2,6-diphenylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]-5-methylphenoxy]carbazole is sourced from PubChem (CID 153416968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).