2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole

C258H164N18 — CID 159305236

IUPAC2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc65)c4)nc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)n3)c(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2cc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)c3)nc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)n2)cc1
InChIInChI=1S/2C88H56N6.C82H52N6/c1-5-23-57(24-6-1)67-37-22-38-68(58-25-7-2-8-26-58)87(67)78-56-77(89-88(90-78)94-82-42-20-14-34-70(82)74-48-44-62(55-86(74)94)60-46-50-84-76(53-60)72-36-16-19-41-81(72)92(84)65-30-11-4-12-31-65)63-27-21-32-66(51-63)93-79-39-17-13-33-69(79)73-47-43-61(54-85(73)93)59-45-49-83-75(52-59)71-35-15-18-40-80(71)91(83)64-28-9-3-10-29-64;1-5-22-57(23-6-1)59-40-45-68(77(51-59)58-24-7-2-8-25-58)79-56-78(89-88(90-79)94-83-39-20-16-35-72(83)76-49-44-63(55-87(76)94)61-42-47-74-70-33-14-18-37-81(70)92(85(74)53-61)66-29-11-4-12-30-66)64-26-21-31-67(50-64)93-82-38-19-15-34-71(82)75-48-43-62(54-86(75)93)60-41-46-73-69-32-13-17-36-80(69)91(84(73)52-60)65-27-9-3-10-28-65;1-4-21-53(22-5-1)62-29-10-11-30-63(62)73-52-72(83-82(84-73)88-77-38-19-15-34-67(77)71-46-42-57(51-81(71)88)55-40-44-69-65-32-13-17-36-75(65)86(79(69)49-55)60-26-8-3-9-27-60)58-23-20-28-61(47-58)87-76-37-18-14-33-66(76)70-45-41-56(50-80(70)87)54-39-43-68-64-31-12-16-35-74(64)85(78(68)48-54)59-24-6-2-7-25-59/h2*1-56H;1-52H
InChIKeyLBVKMMPPEDZQLO-UHFFFAOYSA-N
MW3516.28 g/mol
LogP66.93
Rot. Bonds29

About 2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole

2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole (PubChem CID 159305236) has the molecular formula C258H164N18 and a molecular weight of 3516.28 g/mol. Its IUPAC name is 2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole.

Molecular Properties

Compound Name2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole
PubChem CID159305236
Molecular FormulaC258H164N18
Molecular Weight3516.28 g/mol
Exact Mass3513.34
IUPAC Name2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc65)c4)nc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)n3)c(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2cc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)c3)nc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)n2)cc1
InChIInChI=1S/2C88H56N6.C82H52N6/c1-5-23-57(24-6-1)67-37-22-38-68(58-25-7-2-8-26-58)87(67)78-56-77(89-88(90-78)94-82-42-20-14-34-70(82)74-48-44-62(55-86(74)94)60-46-50-84-76(53-60)72-36-16-19-41-81(72)92(84)65-30-11-4-12-31-65)63-27-21-32-66(51-63)93-79-39-17-13-33-69(79)73-47-43-61(54-85(73)93)59-45-49-83-75(52-59)71-35-15-18-40-80(71)91(83)64-28-9-3-10-29-64;1-5-22-57(23-6-1)59-40-45-68(77(51-59)58-24-7-2-8-25-58)79-56-78(89-88(90-79)94-83-39-20-16-35-72(83)76-49-44-63(55-87(76)94)61-42-47-74-70-33-14-18-37-81(70)92(85(74)53-61)66-29-11-4-12-30-66)64-26-21-31-67(50-64)93-82-38-19-15-34-71(82)75-48-43-62(54-86(75)93)60-41-46-73-69-32-13-17-36-80(69)91(84(73)52-60)65-27-9-3-10-28-65;1-4-21-53(22-5-1)62-29-10-11-30-63(62)73-52-72(83-82(84-73)88-77-38-19-15-34-67(77)71-46-42-57(51-81(71)88)55-40-44-69-65-32-13-17-36-75(65)86(79(69)49-55)60-26-8-3-9-27-60)58-23-20-28-61(47-58)87-76-37-18-14-33-66(76)70-45-41-56(50-80(70)87)54-39-43-68-64-31-12-16-35-74(64)85(78(68)48-54)59-24-6-2-7-25-59/h2*1-56H;1-52H
InChIKeyLBVKMMPPEDZQLO-UHFFFAOYSA-N
XLogP66.93
TPSA136.50 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms276
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003516.28
LogP ≤ 566.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole?
The IUPAC name of 2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole (CID 159305236) is 2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole.
What is the SMILES notation for 2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole?
The canonical SMILES for 2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole is c1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc65)c4)nc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)n3)c(-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2cc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)c3)nc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)n2)cc1.
What is the InChIKey of 2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole?
The InChIKey is LBVKMMPPEDZQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C88H56N6.C82H52N6/c1-5-23-57(24-6-1)67-37-22-38-68(58-25-7-2-8-26-58)87(67)78-56-77(89-88(90-78)94-82-42-20-14-34-70(82)74-48-44-62(55-86(74)94)60-46-50-84-76(53-60)72-36-16-19-41-81(72)92(84)65-30-11-4-12-31-65)63-27-21-32-66(51-63)93-79-39-17-13-33-69(79)73-47-43-61(54-85(73)93)59-45-49-83-75(52-59)71-35-15-18-40-80(71)91(83)64-28-9-3-10-29-64;1-5-22-57(23-6-1)59-40-45-68(77(51-59)58-24-7-2-8-25-58)79-56-78(89-88(90-79)94-83-39-20-16-35-72(83)76-49-44-63(55-87(76)94)61-42-47-74-70-33-14-18-37-81(70)92(85(74)53-61)66-29-11-4-12-30-66)64-26-21-31-67(50-64)93-82-38-19-15-34-71(82)75-48-43-62(54-86(75)93)60-41-46-73-69-32-13-17-36-80(69)91(84(73)52-60)65-27-9-3-10-28-65;1-4-21-53(22-5-1)62-29-10-11-30-63(62)73-52-72(83-82(84-73)88-77-38-19-15-34-67(77)71-46-42-57(51-81(71)88)55-40-44-69-65-32-13-17-36-75(65)86(79(69)49-55)60-26-8-3-9-27-60)58-23-20-28-61(47-58)87-76-37-18-14-33-66(76)70-45-41-56(50-80(70)87)54-39-43-68-64-31-12-16-35-74(64)85(78(68)48-54)59-24-6-2-7-25-59/h2*1-56H;1-52H.
What are the key properties of 2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole?
2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole has a molecular weight of 3516.28 g/mol, XLogP of 66.93, 29 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-(2,4-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylphenyl)-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-2-yl)-9-[4-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole is sourced from PubChem (CID 159305236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).