2-(2,7-dimethylcarbazol-9-yl)-6-[5-fluoro-3-methyl-2-[[(1R,2R)-2-methylcyclohexyl]methoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

C43H52FNO2 — CID 140759572

IUPAC2-(2,7-dimethylcarbazol-9-yl)-6-[5-fluoro-3-methyl-2-[[(1R,2R)-2-methylcyclohexyl]methoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCc1ccc2c3ccc(C)cc3n(-c3cc(C(C)(C)CC(C)(C)C)cc(-c4cc(F)cc(C)c4OC[C@@H]4CCCC[C@H]4C)c3O)c2c1
InChIInChI=1S/C43H52FNO2/c1-26-14-16-33-34-17-15-27(2)19-38(34)45(37(33)18-26)39-22-31(43(8,9)25-42(5,6)7)21-35(40(39)46)36-23-32(44)20-29(4)41(36)47-24-30-13-11-10-12-28(30)3/h14-23,28,30,46H,10-13,24-25H2,1-9H3/t28-,30+/m1/s1
InChIKeyACJSUKZHOZIPKV-DGPALRBDSA-N
MW633.89 g/mol
LogP12.14
Rot. Bonds7

About 2-(2,7-dimethylcarbazol-9-yl)-6-[5-fluoro-3-methyl-2-[[(1R,2R)-2-methylcyclohexyl]methoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

2-(2,7-dimethylcarbazol-9-yl)-6-[5-fluoro-3-methyl-2-[[(1R,2R)-2-methylcyclohexyl]methoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 140759572) has the molecular formula C43H52FNO2 and a molecular weight of 633.89 g/mol. Its IUPAC name is 2-(2,7-dimethylcarbazol-9-yl)-6-[5-fluoro-3-methyl-2-[[(1R,2R)-2-methylcyclohexyl]methoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-(2,7-dimethylcarbazol-9-yl)-6-[5-fluoro-3-methyl-2-[[(1R,2R)-2-methylcyclohexyl]methoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID140759572
Molecular FormulaC43H52FNO2
Molecular Weight633.89 g/mol
Exact Mass633.40
IUPAC Name2-(2,7-dimethylcarbazol-9-yl)-6-[5-fluoro-3-methyl-2-[[(1R,2R)-2-methylcyclohexyl]methoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCc1ccc2c3ccc(C)cc3n(-c3cc(C(C)(C)CC(C)(C)C)cc(-c4cc(F)cc(C)c4OC[C@@H]4CCCC[C@H]4C)c3O)c2c1
InChIInChI=1S/C43H52FNO2/c1-26-14-16-33-34-17-15-27(2)19-38(34)45(37(33)18-26)39-22-31(43(8,9)25-42(5,6)7)21-35(40(39)46)36-23-32(44)20-29(4)41(36)47-24-30-13-11-10-12-28(30)3/h14-23,28,30,46H,10-13,24-25H2,1-9H3/t28-,30+/m1/s1
InChIKeyACJSUKZHOZIPKV-DGPALRBDSA-N
XLogP12.14
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.89
LogP ≤ 512.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,7-dimethylcarbazol-9-yl)-6-[5-fluoro-3-methyl-2-[[(1R,2R)-2-methylcyclohexyl]methoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethylcarbazol-9-yl)-6-[5-fluoro-3-methyl-2-[[(1R,2R)-2-methylcyclohexyl]methoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-(2,7-dimethylcarbazol-9-yl)-6-[5-fluoro-3-methyl-2-[[(1R,2R)-2-methylcyclohexyl]methoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 140759572) is 2-(2,7-dimethylcarbazol-9-yl)-6-[5-fluoro-3-methyl-2-[[(1R,2R)-2-methylcyclohexyl]methoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-(2,7-dimethylcarbazol-9-yl)-6-[5-fluoro-3-methyl-2-[[(1R,2R)-2-methylcyclohexyl]methoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-(2,7-dimethylcarbazol-9-yl)-6-[5-fluoro-3-methyl-2-[[(1R,2R)-2-methylcyclohexyl]methoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is Cc1ccc2c3ccc(C)cc3n(-c3cc(C(C)(C)CC(C)(C)C)cc(-c4cc(F)cc(C)c4OC[C@@H]4CCCC[C@H]4C)c3O)c2c1.
What is the InChIKey of 2-(2,7-dimethylcarbazol-9-yl)-6-[5-fluoro-3-methyl-2-[[(1R,2R)-2-methylcyclohexyl]methoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is ACJSUKZHOZIPKV-DGPALRBDSA-N. The full InChI is InChI=1S/C43H52FNO2/c1-26-14-16-33-34-17-15-27(2)19-38(34)45(37(33)18-26)39-22-31(43(8,9)25-42(5,6)7)21-35(40(39)46)36-23-32(44)20-29(4)41(36)47-24-30-13-11-10-12-28(30)3/h14-23,28,30,46H,10-13,24-25H2,1-9H3/t28-,30+/m1/s1.
What are the key properties of 2-(2,7-dimethylcarbazol-9-yl)-6-[5-fluoro-3-methyl-2-[[(1R,2R)-2-methylcyclohexyl]methoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-(2,7-dimethylcarbazol-9-yl)-6-[5-fluoro-3-methyl-2-[[(1R,2R)-2-methylcyclohexyl]methoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 633.89 g/mol, XLogP of 12.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethylcarbazol-9-yl)-6-[5-fluoro-3-methyl-2-[[(1R,2R)-2-methylcyclohexyl]methoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 140759572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).