2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(2,6-difluoro-4-propan-2-ylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol

C57H51F2N3O — CID 170542354

IUPAC2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(2,6-difluoro-4-propan-2-ylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
SMILESCC(C)c1cc(F)c(-n2c3ccccc3c3ccc(-c4cccc(-c5cccc(-c6cc(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cc(-c7ccccc7O)n6)c5)n4)cc32)c(F)c1
InChIInChI=1S/C57H51F2N3O/c1-34(2)38-28-46(58)55(47(59)29-38)62-52-21-11-9-17-43(52)44-24-23-37(32-53(44)62)49-20-14-19-48(60-49)35-15-13-16-36(25-35)50-30-40(31-51(61-50)45-18-10-12-22-54(45)63)39-26-41(56(3,4)5)33-42(27-39)57(6,7)8/h9-34,63H,1-8H3
InChIKeyZLAZFOZZRLOPLD-UHFFFAOYSA-N
MW832.05 g/mol
LogP15.61
Rot. Bonds7

About 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(2,6-difluoro-4-propan-2-ylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol

2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(2,6-difluoro-4-propan-2-ylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol (PubChem CID 170542354) has the molecular formula C57H51F2N3O and a molecular weight of 832.05 g/mol. Its IUPAC name is 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(2,6-difluoro-4-propan-2-ylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(2,6-difluoro-4-propan-2-ylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
PubChem CID170542354
Molecular FormulaC57H51F2N3O
Molecular Weight832.05 g/mol
Exact Mass831.40
IUPAC Name2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(2,6-difluoro-4-propan-2-ylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
SMILESCC(C)c1cc(F)c(-n2c3ccccc3c3ccc(-c4cccc(-c5cccc(-c6cc(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cc(-c7ccccc7O)n6)c5)n4)cc32)c(F)c1
InChIInChI=1S/C57H51F2N3O/c1-34(2)38-28-46(58)55(47(59)29-38)62-52-21-11-9-17-43(52)44-24-23-37(32-53(44)62)49-20-14-19-48(60-49)35-15-13-16-36(25-35)50-30-40(31-51(61-50)45-18-10-12-22-54(45)63)39-26-41(56(3,4)5)33-42(27-39)57(6,7)8/h9-34,63H,1-8H3
InChIKeyZLAZFOZZRLOPLD-UHFFFAOYSA-N
XLogP15.61
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.05
LogP ≤ 515.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(2,6-difluoro-4-propan-2-ylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol with MolForge

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Related Compounds

3-(2,7-di-tert-butyl-9H-carbazol9-yl)-5'-fluoro-3'-methyl-5-(2,4,4trimethylpentan-2-yl)-[1,1'-biphenyl]2,2'-diol
CID 123572932
3-(2,7-di-tert-butyl-9H-carbazol-9-yl)5'-fluoro-5-(2,4,4-trimethylpentan-2-yl)[1,1'-biphenyl]-2,2'-diol
CID 138987021
9-Benzyl-1-[9-benzyl-2-hydroxy-3-methyl-7-(trifluoromethyl)carbazol-1-yl]-3-methyl-7-(trifluoromethyl)carbazol-2-ol
CID 134962064
Mo(NC6F5)(CHCMe2Ph)(OTTBT)(Cl)(PyrMe2)
CID 137327208
3-[2-(Cyclopropylmethyl)-8-fluoro-6-methyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl]phenol
CID 19435078
3-(9-Fluoro-6-methyl-2-prop-2-enyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol
CID 19435162
3-(2-Benzyl-9-fluoro-6-methyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol
CID 19435167
3-(8-Fluoro-2,6-dimethyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol
CID 19435398
3-[7-Fluoro-6-methyl-2-(2-phenylethyl)-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl]phenol
CID 19435476
3-[9-Fluoro-6-methyl-2-(2-phenylethyl)-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl]phenol
CID 19435688
3-(9-Fluoro-2,6-dimethyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol
CID 19435743
3-[2-(Cyclopropylmethyl)-9-fluoro-6-methyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl]phenol
CID 19435757

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(2,6-difluoro-4-propan-2-ylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol?
The IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(2,6-difluoro-4-propan-2-ylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol (CID 170542354) is 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(2,6-difluoro-4-propan-2-ylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(2,6-difluoro-4-propan-2-ylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol?
The canonical SMILES for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(2,6-difluoro-4-propan-2-ylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol is CC(C)c1cc(F)c(-n2c3ccccc3c3ccc(-c4cccc(-c5cccc(-c6cc(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cc(-c7ccccc7O)n6)c5)n4)cc32)c(F)c1.
What is the InChIKey of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(2,6-difluoro-4-propan-2-ylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol?
The InChIKey is ZLAZFOZZRLOPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H51F2N3O/c1-34(2)38-28-46(58)55(47(59)29-38)62-52-21-11-9-17-43(52)44-24-23-37(32-53(44)62)49-20-14-19-48(60-49)35-15-13-16-36(25-35)50-30-40(31-51(61-50)45-18-10-12-22-54(45)63)39-26-41(56(3,4)5)33-42(27-39)57(6,7)8/h9-34,63H,1-8H3.
What are the key properties of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(2,6-difluoro-4-propan-2-ylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol?
2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(2,6-difluoro-4-propan-2-ylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol has a molecular weight of 832.05 g/mol, XLogP of 15.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(2,6-difluoro-4-propan-2-ylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 170542354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).