9-[6-[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(2-methylphenyl)carbazole

C65H45F6N3 — CID 146393991

IUPAC9-[6-[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc(-n4c5cc(-c6ccccc6C)ccc5c5ccc(-c6ccccc6C)cc54)n3)c2c1
InChIInChI=1S/C65H45F6N3/c1-38-13-5-9-17-50(38)42-21-25-54-55-26-22-43(51-18-10-6-14-39(51)2)32-59(55)73(58(54)31-42)62-35-47(46-29-48(64(66,67)68)37-49(30-46)65(69,70)71)36-63(72-62)74-60-33-44(52-19-11-7-15-40(52)3)23-27-56(60)57-28-24-45(34-61(57)74)53-20-12-8-16-41(53)4/h5-37H,1-4H3
InChIKeyCIXIUXJSSXOKTJ-UHFFFAOYSA-N
MW982.08 g/mol
LogP18.88
Rot. Bonds7

About 9-[6-[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(2-methylphenyl)carbazole

9-[6-[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(2-methylphenyl)carbazole (PubChem CID 146393991) has the molecular formula C65H45F6N3 and a molecular weight of 982.08 g/mol. Its IUPAC name is 9-[6-[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(2-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[6-[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(2-methylphenyl)carbazole
PubChem CID146393991
Molecular FormulaC65H45F6N3
Molecular Weight982.08 g/mol
Exact Mass981.35
IUPAC Name9-[6-[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc(-n4c5cc(-c6ccccc6C)ccc5c5ccc(-c6ccccc6C)cc54)n3)c2c1
InChIInChI=1S/C65H45F6N3/c1-38-13-5-9-17-50(38)42-21-25-54-55-26-22-43(51-18-10-6-14-39(51)2)32-59(55)73(58(54)31-42)62-35-47(46-29-48(64(66,67)68)37-49(30-46)65(69,70)71)36-63(72-62)74-60-33-44(52-19-11-7-15-40(52)3)23-27-56(60)57-28-24-45(34-61(57)74)53-20-12-8-16-41(53)4/h5-37H,1-4H3
InChIKeyCIXIUXJSSXOKTJ-UHFFFAOYSA-N
XLogP18.88
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.08
LogP ≤ 518.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-2-(trifluoromethyl)carbazole
CID 146393939
9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-tert-butylcarbazol-9-yl)-2-pyridinyl]-2-tert-butylcarbazole
CID 146393925
4-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis[2-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 134300544
4,5-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 134287669
4-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499308
3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499309
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 153252844
9-[3-[2,4-bis(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 166669944
9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(2,4-dimethylphenyl)carbazole
CID 138555519
2-[3,5-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486398
2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386425
2-[2-[3,5-bis(trifluoromethyl)phenyl]-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499635

Frequently Asked Questions

What is the IUPAC name of 9-[6-[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(2-methylphenyl)carbazole?
The IUPAC name of 9-[6-[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(2-methylphenyl)carbazole (CID 146393991) is 9-[6-[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(2-methylphenyl)carbazole.
What is the SMILES notation for 9-[6-[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(2-methylphenyl)carbazole?
The canonical SMILES for 9-[6-[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(2-methylphenyl)carbazole is Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc(-n4c5cc(-c6ccccc6C)ccc5c5ccc(-c6ccccc6C)cc54)n3)c2c1.
What is the InChIKey of 9-[6-[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(2-methylphenyl)carbazole?
The InChIKey is CIXIUXJSSXOKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45F6N3/c1-38-13-5-9-17-50(38)42-21-25-54-55-26-22-43(51-18-10-6-14-39(51)2)32-59(55)73(58(54)31-42)62-35-47(46-29-48(64(66,67)68)37-49(30-46)65(69,70)71)36-63(72-62)74-60-33-44(52-19-11-7-15-40(52)3)23-27-56(60)57-28-24-45(34-61(57)74)53-20-12-8-16-41(53)4/h5-37H,1-4H3.
What are the key properties of 9-[6-[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(2-methylphenyl)carbazole?
9-[6-[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(2-methylphenyl)carbazole has a molecular weight of 982.08 g/mol, XLogP of 18.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(2-methylphenyl)carbazole is sourced from PubChem (CID 146393991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).