3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

C276H172N28 — CID 158607283

IUPAC3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2c(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)cncc2-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1.N#Cc1cccc(-c2c(-n3c4ccc(-c5ccc(-c6ccccc6)nc5)cc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)cncc2-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1.N#Cc1cccc(-c2c(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)cncc2-n2c3ccccc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1.N#Cc1cccc(-c2c(-n3c4ccccc4c4ccc(-c5ccnc(-c6ccccc6)c5)cc43)cncc2-n2c3ccccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)c1
InChIInChI=1S/2C80H50N8.2C58H36N6/c81-45-52-14-13-23-61(40-52)80-78(87-74-36-28-57(62-24-32-70(83-46-62)53-15-5-1-6-16-53)41-66(74)67-42-58(29-37-75(67)87)63-25-33-71(84-47-63)54-17-7-2-8-18-54)50-82-51-79(80)88-76-38-30-59(64-26-34-72(85-48-64)55-19-9-3-10-20-55)43-68(76)69-44-60(31-39-77(69)88)65-27-35-73(86-49-65)56-21-11-4-12-22-56;81-45-52-14-13-23-61(40-52)80-78(87-74-41-57(62-28-36-70(83-46-62)53-15-5-1-6-16-53)24-32-66(74)67-33-25-58(42-75(67)87)63-29-37-71(84-47-63)54-17-7-2-8-18-54)50-82-51-79(80)88-76-43-59(64-30-38-72(85-48-64)55-19-9-3-10-20-55)26-34-68(76)69-35-27-60(44-77(69)88)65-31-39-73(86-49-65)56-21-11-4-12-22-56;59-33-38-12-11-17-43(30-38)58-56(63-52-20-9-7-18-46(52)48-31-41(24-28-54(48)63)44-22-26-50(61-34-44)39-13-3-1-4-14-39)36-60-37-57(58)64-53-21-10-8-19-47(53)49-32-42(25-29-55(49)64)45-23-27-51(62-35-45)40-15-5-2-6-16-40;59-35-38-12-11-17-45(30-38)58-56(63-52-20-9-7-18-46(52)48-24-22-41(33-54(48)63)43-26-28-61-50(31-43)39-13-3-1-4-14-39)36-60-37-57(58)64-53-21-10-8-19-47(53)49-25-23-42(34-55(49)64)44-27-29-62-51(32-44)40-15-5-2-6-16-40/h2*1-44,46-51H;1-32,34-37H;1-34,36-37H
InChIKeyHWJUMRUUCXUMIJ-UHFFFAOYSA-N
MW3880.61 g/mol
LogP68.01
Rot. Bonds36

About 3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 158607283) has the molecular formula C276H172N28 and a molecular weight of 3880.61 g/mol. Its IUPAC name is 3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID158607283
Molecular FormulaC276H172N28
Molecular Weight3880.61 g/mol
Exact Mass3877.43
IUPAC Name3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2c(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)cncc2-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1.N#Cc1cccc(-c2c(-n3c4ccc(-c5ccc(-c6ccccc6)nc5)cc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)cncc2-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1.N#Cc1cccc(-c2c(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)cncc2-n2c3ccccc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1.N#Cc1cccc(-c2c(-n3c4ccccc4c4ccc(-c5ccnc(-c6ccccc6)c5)cc43)cncc2-n2c3ccccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)c1
InChIInChI=1S/2C80H50N8.2C58H36N6/c81-45-52-14-13-23-61(40-52)80-78(87-74-36-28-57(62-24-32-70(83-46-62)53-15-5-1-6-16-53)41-66(74)67-42-58(29-37-75(67)87)63-25-33-71(84-47-63)54-17-7-2-8-18-54)50-82-51-79(80)88-76-38-30-59(64-26-34-72(85-48-64)55-19-9-3-10-20-55)43-68(76)69-44-60(31-39-77(69)88)65-27-35-73(86-49-65)56-21-11-4-12-22-56;81-45-52-14-13-23-61(40-52)80-78(87-74-41-57(62-28-36-70(83-46-62)53-15-5-1-6-16-53)24-32-66(74)67-33-25-58(42-75(67)87)63-29-37-71(84-47-63)54-17-7-2-8-18-54)50-82-51-79(80)88-76-43-59(64-30-38-72(85-48-64)55-19-9-3-10-20-55)26-34-68(76)69-35-27-60(44-77(69)88)65-31-39-73(86-49-65)56-21-11-4-12-22-56;59-33-38-12-11-17-43(30-38)58-56(63-52-20-9-7-18-46(52)48-31-41(24-28-54(48)63)44-22-26-50(61-34-44)39-13-3-1-4-14-39)36-60-37-57(58)64-53-21-10-8-19-47(53)49-32-42(25-29-55(49)64)45-23-27-51(62-35-45)40-15-5-2-6-16-40;59-35-38-12-11-17-45(30-38)58-56(63-52-20-9-7-18-46(52)48-24-22-41(33-54(48)63)43-26-28-61-50(31-43)39-13-3-1-4-14-39)36-60-37-57(58)64-53-21-10-8-19-47(53)49-25-23-42(34-55(49)64)44-27-29-62-51(32-44)40-15-5-2-6-16-40/h2*1-44,46-51H;1-32,34-37H;1-34,36-37H
InChIKeyHWJUMRUUCXUMIJ-UHFFFAOYSA-N
XLogP68.01
TPSA340.84 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds36
Heavy Atoms304
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003880.61
LogP ≤ 568.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 158607283) is 3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is N#Cc1cccc(-c2c(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)cncc2-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1.N#Cc1cccc(-c2c(-n3c4ccc(-c5ccc(-c6ccccc6)nc5)cc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)cncc2-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1.N#Cc1cccc(-c2c(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)cncc2-n2c3ccccc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1.N#Cc1cccc(-c2c(-n3c4ccccc4c4ccc(-c5ccnc(-c6ccccc6)c5)cc43)cncc2-n2c3ccccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)c1.
What is the InChIKey of 3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is HWJUMRUUCXUMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C80H50N8.2C58H36N6/c81-45-52-14-13-23-61(40-52)80-78(87-74-36-28-57(62-24-32-70(83-46-62)53-15-5-1-6-16-53)41-66(74)67-42-58(29-37-75(67)87)63-25-33-71(84-47-63)54-17-7-2-8-18-54)50-82-51-79(80)88-76-38-30-59(64-26-34-72(85-48-64)55-19-9-3-10-20-55)43-68(76)69-44-60(31-39-77(69)88)65-27-35-73(86-49-65)56-21-11-4-12-22-56;81-45-52-14-13-23-61(40-52)80-78(87-74-41-57(62-28-36-70(83-46-62)53-15-5-1-6-16-53)24-32-66(74)67-33-25-58(42-75(67)87)63-29-37-71(84-47-63)54-17-7-2-8-18-54)50-82-51-79(80)88-76-43-59(64-30-38-72(85-48-64)55-19-9-3-10-20-55)26-34-68(76)69-35-27-60(44-77(69)88)65-31-39-73(86-49-65)56-21-11-4-12-22-56;59-33-38-12-11-17-43(30-38)58-56(63-52-20-9-7-18-46(52)48-31-41(24-28-54(48)63)44-22-26-50(61-34-44)39-13-3-1-4-14-39)36-60-37-57(58)64-53-21-10-8-19-47(53)49-32-42(25-29-55(49)64)45-23-27-51(62-35-45)40-15-5-2-6-16-40;59-35-38-12-11-17-45(30-38)58-56(63-52-20-9-7-18-46(52)48-24-22-41(33-54(48)63)43-26-28-61-50(31-43)39-13-3-1-4-14-39)36-60-37-57(58)64-53-21-10-8-19-47(53)49-25-23-42(34-55(49)64)44-27-29-62-51(32-44)40-15-5-2-6-16-40/h2*1-44,46-51H;1-32,34-37H;1-34,36-37H.
What are the key properties of 3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile has a molecular weight of 3880.61 g/mol, XLogP of 68.01, 36 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 158607283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).