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

C83H49F6N7 — CID 137393453

IUPAC2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccc(-c4ccnc(-c5ccccc5)c4)cc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)c1-n1c2ccc(-c3ccnc(-c4ccccc4)c3)cc2c2cc(-c3ccnc(-c4ccccc4)c3)ccc21
InChIInChI=1S/C83H49F6N7/c84-82(85,86)69-22-13-23-70(83(87,88)89)80(69)63-28-33-79(95-75-29-24-55(59-34-38-91-71(46-59)51-14-5-1-6-15-51)42-64(75)65-43-56(25-30-76(65)95)60-35-39-92-72(47-60)52-16-7-2-8-17-52)68(50-90)81(63)96-77-31-26-57(61-36-40-93-73(48-61)53-18-9-3-10-19-53)44-66(77)67-45-58(27-32-78(67)96)62-37-41-94-74(49-62)54-20-11-4-12-21-54/h1-49H
InChIKeyCVCMJWFBIJXNOV-UHFFFAOYSA-N
MW1258.34 g/mol
LogP22.37
Rot. Bonds11

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

2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137393453) has the molecular formula C83H49F6N7 and a molecular weight of 1258.34 g/mol. Its IUPAC name is 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
PubChem CID137393453
Molecular FormulaC83H49F6N7
Molecular Weight1258.34 g/mol
Exact Mass1257.40
IUPAC Name2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccc(-c4ccnc(-c5ccccc5)c4)cc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)c1-n1c2ccc(-c3ccnc(-c4ccccc4)c3)cc2c2cc(-c3ccnc(-c4ccccc4)c3)ccc21
InChIInChI=1S/C83H49F6N7/c84-82(85,86)69-22-13-23-70(83(87,88)89)80(69)63-28-33-79(95-75-29-24-55(59-34-38-91-71(46-59)51-14-5-1-6-15-51)42-64(75)65-43-56(25-30-76(65)95)60-35-39-92-72(47-60)52-16-7-2-8-17-52)68(50-90)81(63)96-77-31-26-57(61-36-40-93-73(48-61)53-18-9-3-10-19-53)44-66(77)67-45-58(27-32-78(67)96)62-37-41-94-74(49-62)54-20-11-4-12-21-54/h1-49H
InChIKeyCVCMJWFBIJXNOV-UHFFFAOYSA-N
XLogP22.37
TPSA85.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001258.34
LogP ≤ 522.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile (CID 137393453) is 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile is N#Cc1c(-n2c3ccc(-c4ccnc(-c5ccccc5)c4)cc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)c1-n1c2ccc(-c3ccnc(-c4ccccc4)c3)cc2c2cc(-c3ccnc(-c4ccccc4)c3)ccc21.
What is the InChIKey of 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is CVCMJWFBIJXNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H49F6N7/c84-82(85,86)69-22-13-23-70(83(87,88)89)80(69)63-28-33-79(95-75-29-24-55(59-34-38-91-71(46-59)51-14-5-1-6-15-51)42-64(75)65-43-56(25-30-76(65)95)60-35-39-92-72(47-60)52-16-7-2-8-17-52)68(50-90)81(63)96-77-31-26-57(61-36-40-93-73(48-61)53-18-9-3-10-19-53)44-66(77)67-45-58(27-32-78(67)96)62-37-41-94-74(49-62)54-20-11-4-12-21-54/h1-49H.
What are the key properties of 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1258.34 g/mol, XLogP of 22.37, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137393453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).