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

C61H38F6N4 — CID 146520039

IUPAC9-[2-[2,6-bis(trifluoromethyl)phenyl]-5-methyl-4-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-4-pyridinyl)carbazole
SMILESCc1cc(-n2c3ccccc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)c(-c2c(C(F)(F)F)cccc2C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3ccnc(-c4ccccc4)c3)ccc21
InChIInChI=1S/C61H38F6N4/c1-37-31-58(71-54-22-11-9-18-45(54)47-33-41(24-26-56(47)71)43-28-30-69-52(35-43)39-15-6-3-7-16-39)48(59-49(60(62,63)64)19-12-20-50(59)61(65,66)67)36-57(37)70-53-21-10-8-17-44(53)46-32-40(23-25-55(46)70)42-27-29-68-51(34-42)38-13-4-2-5-14-38/h2-36H,1H3
InChIKeyYOHMAUSGKUQLKI-UHFFFAOYSA-N
MW940.99 g/mol
LogP17.35
Rot. Bonds7

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

9-[2-[2,6-bis(trifluoromethyl)phenyl]-5-methyl-4-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-4-pyridinyl)carbazole (PubChem CID 146520039) has the molecular formula C61H38F6N4 and a molecular weight of 940.99 g/mol. Its IUPAC name is 9-[2-[2,6-bis(trifluoromethyl)phenyl]-5-methyl-4-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-4-pyridinyl)carbazole.

Molecular Properties

Compound Name9-[2-[2,6-bis(trifluoromethyl)phenyl]-5-methyl-4-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-4-pyridinyl)carbazole
PubChem CID146520039
Molecular FormulaC61H38F6N4
Molecular Weight940.99 g/mol
Exact Mass940.30
IUPAC Name9-[2-[2,6-bis(trifluoromethyl)phenyl]-5-methyl-4-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-4-pyridinyl)carbazole
SMILESCc1cc(-n2c3ccccc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)c(-c2c(C(F)(F)F)cccc2C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3ccnc(-c4ccccc4)c3)ccc21
InChIInChI=1S/C61H38F6N4/c1-37-31-58(71-54-22-11-9-18-45(54)47-33-41(24-26-56(47)71)43-28-30-69-52(35-43)39-15-6-3-7-16-39)48(59-49(60(62,63)64)19-12-20-50(59)61(65,66)67)36-57(37)70-53-21-10-8-17-44(53)46-32-40(23-25-55(46)70)42-27-29-68-51(34-42)38-13-4-2-5-14-38/h2-36H,1H3
InChIKeyYOHMAUSGKUQLKI-UHFFFAOYSA-N
XLogP17.35
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.99
LogP ≤ 517.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)benzonitrile
CID 146519822
2-[9-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-2-methylphenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 146520130
4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 137392575
2,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382087
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)-6-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 138554678
9-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole
CID 138554263
9-(4-carbazol-9-yl-2-methyl-5-phenylphenyl)carbazole
CID 118944224
3-[3,5-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377671
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 142508809
9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(2-phenyl-4-pyridinyl)carbazole
CID 154960404
3-[5-[2,6-bis(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 138500021
2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381430

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2,6-bis(trifluoromethyl)phenyl]-5-methyl-4-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-4-pyridinyl)carbazole?
The IUPAC name of 9-[2-[2,6-bis(trifluoromethyl)phenyl]-5-methyl-4-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-4-pyridinyl)carbazole (CID 146520039) is 9-[2-[2,6-bis(trifluoromethyl)phenyl]-5-methyl-4-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-4-pyridinyl)carbazole.
What is the SMILES notation for 9-[2-[2,6-bis(trifluoromethyl)phenyl]-5-methyl-4-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-4-pyridinyl)carbazole?
The canonical SMILES for 9-[2-[2,6-bis(trifluoromethyl)phenyl]-5-methyl-4-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-4-pyridinyl)carbazole is Cc1cc(-n2c3ccccc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)c(-c2c(C(F)(F)F)cccc2C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3ccnc(-c4ccccc4)c3)ccc21.
What is the InChIKey of 9-[2-[2,6-bis(trifluoromethyl)phenyl]-5-methyl-4-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-4-pyridinyl)carbazole?
The InChIKey is YOHMAUSGKUQLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38F6N4/c1-37-31-58(71-54-22-11-9-18-45(54)47-33-41(24-26-56(47)71)43-28-30-69-52(35-43)39-15-6-3-7-16-39)48(59-49(60(62,63)64)19-12-20-50(59)61(65,66)67)36-57(37)70-53-21-10-8-17-44(53)46-32-40(23-25-55(46)70)42-27-29-68-51(34-42)38-13-4-2-5-14-38/h2-36H,1H3.
What are the key properties of 9-[2-[2,6-bis(trifluoromethyl)phenyl]-5-methyl-4-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-4-pyridinyl)carbazole?
9-[2-[2,6-bis(trifluoromethyl)phenyl]-5-methyl-4-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-4-pyridinyl)carbazole has a molecular weight of 940.99 g/mol, XLogP of 17.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2,6-bis(trifluoromethyl)phenyl]-5-methyl-4-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-4-pyridinyl)carbazole is sourced from PubChem (CID 146520039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).