3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole

C71H71N — CID 169284823

IUPAC3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole
SMILES[2H]C([2H])([2H])c1ccccc1-n1c2ccc(-c3cc(-c4ccccc4C(C)(C)C)cc(-c4ccccc4C(C)(C)C)c3)cc2c2cc(-c3cc(-c4ccccc4C(C)(C)C)cc(-c4ccccc4C(C)(C)C)c3)ccc21
InChIInChI=1S/C71H71N/c1-46-24-14-23-33-65(46)72-66-36-34-47(49-38-51(55-25-15-19-29-61(55)68(2,3)4)42-52(39-49)56-26-16-20-30-62(56)69(5,6)7)44-59(66)60-45-48(35-37-67(60)72)50-40-53(57-27-17-21-31-63(57)70(8,9)10)43-54(41-50)58-28-18-22-32-64(58)71(11,12)13/h14-45H,1-13H3/i1D3
InChIKeyJYAOARIKRCZNAY-FIBGUPNXSA-N
MW941.37 g/mol
LogP20.28
Rot. Bonds8

About 3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole

3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole (PubChem CID 169284823) has the molecular formula C71H71N and a molecular weight of 941.37 g/mol. Its IUPAC name is 3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole
PubChem CID169284823
Molecular FormulaC71H71N
Molecular Weight941.37 g/mol
Exact Mass940.58
IUPAC Name3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole
SMILES[2H]C([2H])([2H])c1ccccc1-n1c2ccc(-c3cc(-c4ccccc4C(C)(C)C)cc(-c4ccccc4C(C)(C)C)c3)cc2c2cc(-c3cc(-c4ccccc4C(C)(C)C)cc(-c4ccccc4C(C)(C)C)c3)ccc21
InChIInChI=1S/C71H71N/c1-46-24-14-23-33-65(46)72-66-36-34-47(49-38-51(55-25-15-19-29-61(55)68(2,3)4)42-52(39-49)56-26-16-20-30-62(56)69(5,6)7)44-59(66)60-45-48(35-37-67(60)72)50-40-53(57-27-17-21-31-63(57)70(8,9)10)43-54(41-50)58-28-18-22-32-64(58)71(11,12)13/h14-45H,1-13H3/i1D3
InChIKeyJYAOARIKRCZNAY-FIBGUPNXSA-N
XLogP20.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.37
LogP ≤ 520.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(3,5-difluorophenyl)phenyl]carbazole
CID 169284758
9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 170283688
3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole
CID 169284709
5-[3-[6-[3,5-bis(3,5-dicyanophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-5-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile
CID 170286516
3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170283720
3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole
CID 170285666
3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]carbazole
CID 169284714
9-[2-(2-tert-butylphenyl)phenyl]-3,6-bis[3-[2-methyl-5-(trifluoromethyl)phenyl]-5-[5-methyl-2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 170283752
3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
CID 169284769
3-(2-tert-butylphenyl)-9-phenylcarbazole
CID 165169210
3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
CID 169284860
3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
CID 170286520

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole?
The IUPAC name of 3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole (CID 169284823) is 3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole.
What is the SMILES notation for 3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole?
The canonical SMILES for 3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole is [2H]C([2H])([2H])c1ccccc1-n1c2ccc(-c3cc(-c4ccccc4C(C)(C)C)cc(-c4ccccc4C(C)(C)C)c3)cc2c2cc(-c3cc(-c4ccccc4C(C)(C)C)cc(-c4ccccc4C(C)(C)C)c3)ccc21.
What is the InChIKey of 3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole?
The InChIKey is JYAOARIKRCZNAY-FIBGUPNXSA-N. The full InChI is InChI=1S/C71H71N/c1-46-24-14-23-33-65(46)72-66-36-34-47(49-38-51(55-25-15-19-29-61(55)68(2,3)4)42-52(39-49)56-26-16-20-30-62(56)69(5,6)7)44-59(66)60-45-48(35-37-67(60)72)50-40-53(57-27-17-21-31-63(57)70(8,9)10)43-54(41-50)58-28-18-22-32-64(58)71(11,12)13/h14-45H,1-13H3/i1D3.
What are the key properties of 3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole?
3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole has a molecular weight of 941.37 g/mol, XLogP of 20.28, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole is sourced from PubChem (CID 169284823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).