3-[4-[2,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]benzonitrile;3-[4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;3-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]benzonitrile

C236H144N22 — CID 159742587

IUPAC3-[4-[2,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]benzonitrile;3-[4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;3-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cc2)c1.N#Cc1cccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cc2)c1.N#Cc1cccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cc2)c1
InChIInChI=1S/C83H51N7.C77H47N7.C76H46N8/c84-52-53-16-15-17-57(46-53)54-30-32-55(33-31-54)73-51-74(86-83(85-73)90-78-29-14-10-25-68(78)72-50-61(39-45-82(72)90)60-37-43-80-70(48-60)66-23-8-12-27-76(66)88(80)63-20-5-2-6-21-63)56-34-40-64(41-35-56)89-77-28-13-9-24-67(77)71-49-59(38-44-81(71)89)58-36-42-79-69(47-58)65-22-7-11-26-75(65)87(79)62-18-3-1-4-19-62;78-48-49-16-15-17-52(42-49)50-30-32-51(33-31-50)67-47-76(83-70-28-13-9-24-61(70)65-45-55(36-40-74(65)83)53-34-38-72-63(43-53)59-22-7-11-26-68(59)81(72)57-18-3-1-4-19-57)80-77(79-67)84-71-29-14-10-25-62(71)66-46-56(37-41-75(66)84)54-35-39-73-64(44-54)60-23-8-12-27-69(60)82(73)58-20-5-2-6-21-58;77-47-48-16-15-17-51(42-48)49-30-32-50(33-31-49)74-78-75(83-68-28-13-9-24-60(68)64-45-54(36-40-72(64)83)52-34-38-70-62(43-52)58-22-7-11-26-66(58)81(70)56-18-3-1-4-19-56)80-76(79-74)84-69-29-14-10-25-61(69)65-46-55(37-41-73(65)84)53-35-39-71-63(44-53)59-23-8-12-27-67(59)82(71)57-20-5-2-6-21-57/h1-51H;1-47H;1-46H
InChIKeyNCQLFTLPBIGXIS-UHFFFAOYSA-N
MW3287.90 g/mol
LogP59.28
Rot. Bonds25

About 3-[4-[2,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]benzonitrile;3-[4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;3-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]benzonitrile

3-[4-[2,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]benzonitrile;3-[4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;3-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]benzonitrile (PubChem CID 159742587) has the molecular formula C236H144N22 and a molecular weight of 3287.90 g/mol. Its IUPAC name is 3-[4-[2,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]benzonitrile;3-[4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;3-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-[4-[2,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]benzonitrile;3-[4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;3-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]benzonitrile
PubChem CID159742587
Molecular FormulaC236H144N22
Molecular Weight3287.90 g/mol
Exact Mass3285.19
IUPAC Name3-[4-[2,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]benzonitrile;3-[4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;3-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cc2)c1.N#Cc1cccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cc2)c1.N#Cc1cccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cc2)c1
InChIInChI=1S/C83H51N7.C77H47N7.C76H46N8/c84-52-53-16-15-17-57(46-53)54-30-32-55(33-31-54)73-51-74(86-83(85-73)90-78-29-14-10-25-68(78)72-50-61(39-45-82(72)90)60-37-43-80-70(48-60)66-23-8-12-27-76(66)88(80)63-20-5-2-6-21-63)56-34-40-64(41-35-56)89-77-28-13-9-24-67(77)71-49-59(38-44-81(71)89)58-36-42-79-69(47-58)65-22-7-11-26-75(65)87(79)62-18-3-1-4-19-62;78-48-49-16-15-17-52(42-49)50-30-32-51(33-31-50)67-47-76(83-70-28-13-9-24-61(70)65-45-55(36-40-74(65)83)53-34-38-72-63(43-53)59-22-7-11-26-68(59)81(72)57-18-3-1-4-19-57)80-77(79-67)84-71-29-14-10-25-62(71)66-46-56(37-41-75(66)84)54-35-39-73-64(44-54)60-23-8-12-27-69(60)82(73)58-20-5-2-6-21-58;77-47-48-16-15-17-51(42-48)49-30-32-50(33-31-49)74-78-75(83-68-28-13-9-24-60(68)64-45-54(36-40-72(64)83)52-34-38-70-62(43-52)58-22-7-11-26-66(58)81(70)56-18-3-1-4-19-56)80-76(79-74)84-69-29-14-10-25-61(69)65-46-55(37-41-73(65)84)53-35-39-71-63(44-53)59-23-8-12-27-67(59)82(71)57-20-5-2-6-21-57/h1-51H;1-47H;1-46H
InChIKeyNCQLFTLPBIGXIS-UHFFFAOYSA-N
XLogP59.28
TPSA220.76 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms258
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003287.90
LogP ≤ 559.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 3-[4-[2,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]benzonitrile;3-[4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;3-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]benzonitrile;3-[4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;3-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]benzonitrile?
The IUPAC name of 3-[4-[2,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]benzonitrile;3-[4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;3-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]benzonitrile (CID 159742587) is 3-[4-[2,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]benzonitrile;3-[4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;3-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]benzonitrile.
What is the SMILES notation for 3-[4-[2,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]benzonitrile;3-[4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;3-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]benzonitrile?
The canonical SMILES for 3-[4-[2,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]benzonitrile;3-[4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;3-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]benzonitrile is N#Cc1cccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cc2)c1.N#Cc1cccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cc2)c1.N#Cc1cccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cc2)c1.
What is the InChIKey of 3-[4-[2,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]benzonitrile;3-[4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;3-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]benzonitrile?
The InChIKey is NCQLFTLPBIGXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H51N7.C77H47N7.C76H46N8/c84-52-53-16-15-17-57(46-53)54-30-32-55(33-31-54)73-51-74(86-83(85-73)90-78-29-14-10-25-68(78)72-50-61(39-45-82(72)90)60-37-43-80-70(48-60)66-23-8-12-27-76(66)88(80)63-20-5-2-6-21-63)56-34-40-64(41-35-56)89-77-28-13-9-24-67(77)71-49-59(38-44-81(71)89)58-36-42-79-69(47-58)65-22-7-11-26-75(65)87(79)62-18-3-1-4-19-62;78-48-49-16-15-17-52(42-49)50-30-32-51(33-31-50)67-47-76(83-70-28-13-9-24-61(70)65-45-55(36-40-74(65)83)53-34-38-72-63(43-53)59-22-7-11-26-68(59)81(72)57-18-3-1-4-19-57)80-77(79-67)84-71-29-14-10-25-62(71)66-46-56(37-41-75(66)84)54-35-39-73-64(44-54)60-23-8-12-27-69(60)82(73)58-20-5-2-6-21-58;77-47-48-16-15-17-51(42-48)49-30-32-50(33-31-49)74-78-75(83-68-28-13-9-24-60(68)64-45-54(36-40-72(64)83)52-34-38-70-62(43-52)58-22-7-11-26-66(58)81(70)56-18-3-1-4-19-56)80-76(79-74)84-69-29-14-10-25-61(69)65-46-55(37-41-73(65)84)53-35-39-71-63(44-53)59-23-8-12-27-67(59)82(71)57-20-5-2-6-21-57/h1-51H;1-47H;1-46H.
What are the key properties of 3-[4-[2,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]benzonitrile;3-[4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;3-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]benzonitrile?
3-[4-[2,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]benzonitrile;3-[4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;3-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]benzonitrile has a molecular weight of 3287.90 g/mol, XLogP of 59.28, 25 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]benzonitrile;3-[4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;3-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]benzonitrile is sourced from PubChem (CID 159742587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).