3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole

C226H134N12 — CID 165084456

IUPAC3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole
SMILESc1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)cccc2c1.c1ccc2c(c1)ccc1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)ccc12.c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)ccc2c1
InChIInChI=1S/C78H46N4.2C74H44N4/c1-2-16-54-47(15-1)29-30-50-41-53(35-38-55(50)54)81-74-27-13-11-25-66(74)70-42-48(33-39-76(70)81)49-34-40-77-71(43-49)67-26-12-14-28-75(67)82(77)78-79-72(51-31-36-64-60-21-5-3-17-56(60)58-19-7-9-23-62(58)68(64)44-51)46-73(80-78)52-32-37-65-61-22-6-4-18-57(61)59-20-8-10-24-63(59)69(65)45-52;1-2-18-50-45(16-1)17-15-31-69(50)77-70-29-13-11-27-61(70)65-40-46(34-38-72(65)77)47-35-39-73-66(41-47)62-28-12-14-30-71(62)78(73)74-75-67(48-32-36-59-55-23-5-3-19-51(55)53-21-7-9-25-57(53)63(59)42-48)44-68(76-74)49-33-37-60-56-24-6-4-20-52(56)54-22-8-10-26-58(54)64(60)43-49;1-2-16-46-39-51(34-29-45(46)15-1)77-70-27-13-11-25-62(70)66-40-47(32-37-72(66)77)48-33-38-73-67(41-48)63-26-12-14-28-71(63)78(73)74-75-68(49-30-35-60-56-21-5-3-17-52(56)54-19-7-9-23-58(54)64(60)42-49)44-69(76-74)50-31-36-61-57-22-6-4-18-53(57)55-20-8-10-24-59(55)65(61)43-50/h1-46H;2*1-44H
InChIKeyVQPOPJHIQUGIIK-UHFFFAOYSA-N
MW3017.64 g/mol
LogP60.39
Rot. Bonds15

About 3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole

3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole (PubChem CID 165084456) has the molecular formula C226H134N12 and a molecular weight of 3017.64 g/mol. Its IUPAC name is 3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole.

Molecular Properties

Compound Name3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole
PubChem CID165084456
Molecular FormulaC226H134N12
Molecular Weight3017.64 g/mol
Exact Mass3015.09
IUPAC Name3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole
SMILESc1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)cccc2c1.c1ccc2c(c1)ccc1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)ccc12.c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)ccc2c1
InChIInChI=1S/C78H46N4.2C74H44N4/c1-2-16-54-47(15-1)29-30-50-41-53(35-38-55(50)54)81-74-27-13-11-25-66(74)70-42-48(33-39-76(70)81)49-34-40-77-71(43-49)67-26-12-14-28-75(67)82(77)78-79-72(51-31-36-64-60-21-5-3-17-56(60)58-19-7-9-23-62(58)68(64)44-51)46-73(80-78)52-32-37-65-61-22-6-4-18-57(61)59-20-8-10-24-63(59)69(65)45-52;1-2-18-50-45(16-1)17-15-31-69(50)77-70-29-13-11-27-61(70)65-40-46(34-38-72(65)77)47-35-39-73-66(41-47)62-28-12-14-30-71(62)78(73)74-75-67(48-32-36-59-55-23-5-3-19-51(55)53-21-7-9-25-57(53)63(59)42-48)44-68(76-74)49-33-37-60-56-24-6-4-20-52(56)54-22-8-10-26-58(54)64(60)43-49;1-2-16-46-39-51(34-29-45(46)15-1)77-70-27-13-11-25-62(70)66-40-47(32-37-72(66)77)48-33-38-73-67(41-48)63-26-12-14-28-71(63)78(73)74-75-68(49-30-35-60-56-21-5-3-17-52(56)54-19-7-9-23-58(54)64(60)42-49)44-69(76-74)50-31-36-61-57-22-6-4-18-53(57)55-20-8-10-24-59(55)65(61)43-50/h1-46H;2*1-44H
InChIKeyVQPOPJHIQUGIIK-UHFFFAOYSA-N
XLogP60.39
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003017.64
LogP ≤ 560.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole with MolForge

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Related Compounds

3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 162264966
3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole
CID 157051196
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300
3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-9-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 159141547
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole
CID 162054699
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 160549221
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 159472470
2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 159138850
2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;2-[9-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167680798
3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-3-ylcarbazole
CID 157495476
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 157156172
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole
CID 88559257

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole?
The IUPAC name of 3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole (CID 165084456) is 3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole.
What is the SMILES notation for 3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole?
The canonical SMILES for 3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole is c1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)cccc2c1.c1ccc2c(c1)ccc1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)ccc12.c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)ccc43)ccc2c1.
What is the InChIKey of 3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole?
The InChIKey is VQPOPJHIQUGIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H46N4.2C74H44N4/c1-2-16-54-47(15-1)29-30-50-41-53(35-38-55(50)54)81-74-27-13-11-25-66(74)70-42-48(33-39-76(70)81)49-34-40-77-71(43-49)67-26-12-14-28-75(67)82(77)78-79-72(51-31-36-64-60-21-5-3-17-56(60)58-19-7-9-23-62(58)68(64)44-51)46-73(80-78)52-32-37-65-61-22-6-4-18-57(61)59-20-8-10-24-63(59)69(65)45-52;1-2-18-50-45(16-1)17-15-31-69(50)77-70-29-13-11-27-61(70)65-40-46(34-38-72(65)77)47-35-39-73-66(41-47)62-28-12-14-30-71(62)78(73)74-75-67(48-32-36-59-55-23-5-3-19-51(55)53-21-7-9-25-57(53)63(59)42-48)44-68(76-74)49-33-37-60-56-24-6-4-20-52(56)54-22-8-10-26-58(54)64(60)43-49;1-2-16-46-39-51(34-29-45(46)15-1)77-70-27-13-11-25-62(70)66-40-47(32-37-72(66)77)48-33-38-73-67(41-48)63-26-12-14-28-71(63)78(73)74-75-68(49-30-35-60-56-21-5-3-17-52(56)54-19-7-9-23-58(54)64(60)42-49)44-69(76-74)50-31-36-61-57-22-6-4-18-53(57)55-20-8-10-24-59(55)65(61)43-50/h1-46H;2*1-44H.
What are the key properties of 3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole?
3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole has a molecular weight of 3017.64 g/mol, XLogP of 60.39, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole is sourced from PubChem (CID 165084456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).