4-[2-cyano-6-(trifluoromethyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-6-[7-(6-phenyl-3-pyridinyl)-3,4-dihydrocarbazol-9-yl]benzonitrile

C61H37F3N6 — CID 137382187

IUPAC4-[2-cyano-6-(trifluoromethyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-6-[7-(6-phenyl-3-pyridinyl)-3,4-dihydrocarbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3c(c4ccc(-c5ccc(-c6ccccc6)nc5)cc42)CCC=C3)c(C#N)c(-n2c3ccccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1
InChIInChI=1S/C61H37F3N6/c62-61(63,64)51-19-11-16-42(34-65)60(51)45-32-58(69-54-20-9-7-17-46(54)48-26-22-40(30-56(48)69)43-24-28-52(67-36-43)38-12-3-1-4-13-38)50(35-66)59(33-45)70-55-21-10-8-18-47(55)49-27-23-41(31-57(49)70)44-25-29-53(68-37-44)39-14-5-2-6-15-39/h1-7,9-17,19-33,36-37H,8,18H2
InChIKeyDYQWEYPOASLPDW-UHFFFAOYSA-N
MW911.00 g/mol
LogP15.57
Rot. Bonds7

About 4-[2-cyano-6-(trifluoromethyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-6-[7-(6-phenyl-3-pyridinyl)-3,4-dihydrocarbazol-9-yl]benzonitrile

4-[2-cyano-6-(trifluoromethyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-6-[7-(6-phenyl-3-pyridinyl)-3,4-dihydrocarbazol-9-yl]benzonitrile (PubChem CID 137382187) has the molecular formula C61H37F3N6 and a molecular weight of 911.00 g/mol. Its IUPAC name is 4-[2-cyano-6-(trifluoromethyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-6-[7-(6-phenyl-3-pyridinyl)-3,4-dihydrocarbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-cyano-6-(trifluoromethyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-6-[7-(6-phenyl-3-pyridinyl)-3,4-dihydrocarbazol-9-yl]benzonitrile
PubChem CID137382187
Molecular FormulaC61H37F3N6
Molecular Weight911.00 g/mol
Exact Mass910.30
IUPAC Name4-[2-cyano-6-(trifluoromethyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-6-[7-(6-phenyl-3-pyridinyl)-3,4-dihydrocarbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3c(c4ccc(-c5ccc(-c6ccccc6)nc5)cc42)CCC=C3)c(C#N)c(-n2c3ccccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1
InChIInChI=1S/C61H37F3N6/c62-61(63,64)51-19-11-16-42(34-65)60(51)45-32-58(69-54-20-9-7-17-46(54)48-26-22-40(30-56(48)69)43-24-28-52(67-36-43)38-12-3-1-4-13-38)50(35-66)59(33-45)70-55-21-10-8-18-47(55)49-27-23-41(31-57(49)70)44-25-29-53(68-37-44)39-14-5-2-6-15-39/h1-7,9-17,19-33,36-37H,8,18H2
InChIKeyDYQWEYPOASLPDW-UHFFFAOYSA-N
XLogP15.57
TPSA83.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.00
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyano-6-(trifluoromethyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-6-[7-(6-phenyl-3-pyridinyl)-3,4-dihydrocarbazol-9-yl]benzonitrile?
The IUPAC name of 4-[2-cyano-6-(trifluoromethyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-6-[7-(6-phenyl-3-pyridinyl)-3,4-dihydrocarbazol-9-yl]benzonitrile (CID 137382187) is 4-[2-cyano-6-(trifluoromethyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-6-[7-(6-phenyl-3-pyridinyl)-3,4-dihydrocarbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-[2-cyano-6-(trifluoromethyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-6-[7-(6-phenyl-3-pyridinyl)-3,4-dihydrocarbazol-9-yl]benzonitrile?
The canonical SMILES for 4-[2-cyano-6-(trifluoromethyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-6-[7-(6-phenyl-3-pyridinyl)-3,4-dihydrocarbazol-9-yl]benzonitrile is N#Cc1cccc(C(F)(F)F)c1-c1cc(-n2c3c(c4ccc(-c5ccc(-c6ccccc6)nc5)cc42)CCC=C3)c(C#N)c(-n2c3ccccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1.
What is the InChIKey of 4-[2-cyano-6-(trifluoromethyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-6-[7-(6-phenyl-3-pyridinyl)-3,4-dihydrocarbazol-9-yl]benzonitrile?
The InChIKey is DYQWEYPOASLPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37F3N6/c62-61(63,64)51-19-11-16-42(34-65)60(51)45-32-58(69-54-20-9-7-17-46(54)48-26-22-40(30-56(48)69)43-24-28-52(67-36-43)38-12-3-1-4-13-38)50(35-66)59(33-45)70-55-21-10-8-18-47(55)49-27-23-41(31-57(49)70)44-25-29-53(68-37-44)39-14-5-2-6-15-39/h1-7,9-17,19-33,36-37H,8,18H2.
What are the key properties of 4-[2-cyano-6-(trifluoromethyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-6-[7-(6-phenyl-3-pyridinyl)-3,4-dihydrocarbazol-9-yl]benzonitrile?
4-[2-cyano-6-(trifluoromethyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-6-[7-(6-phenyl-3-pyridinyl)-3,4-dihydrocarbazol-9-yl]benzonitrile has a molecular weight of 911.00 g/mol, XLogP of 15.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyano-6-(trifluoromethyl)phenyl]-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-6-[7-(6-phenyl-3-pyridinyl)-3,4-dihydrocarbazol-9-yl]benzonitrile is sourced from PubChem (CID 137382187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).