9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole

C198H125N9 — CID 162102961

IUPAC9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cc(-c6cc7ccccc7c7ccccc67)nc(-c6ccccc6)n5)c4)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccccc6)n5)c4)c3c2)cc1
InChIInChI=1S/C70H45N3.C66H41N3.C62H39N3/c1-5-19-46(20-6-1)51-34-36-64-63-31-17-18-32-68(63)73(69(64)44-51)57-41-54(50-33-35-62-60-29-14-13-27-58(60)59-28-15-16-30-61(59)65(62)43-50)40-56(42-57)67-45-66(71-70(72-67)49-25-11-4-12-26-49)55-38-52(47-21-7-2-8-22-47)37-53(39-55)48-23-9-3-10-24-48;1-3-17-42(18-4-1)45-32-34-59-58-29-15-16-30-64(58)69(65(59)40-45)49-36-47(44-31-33-57-54-26-11-10-24-52(54)53-25-12-13-27-55(53)60(57)38-44)35-48(37-49)62-41-63(68-66(67-62)43-19-5-2-6-20-43)61-39-46-21-7-8-22-50(46)51-23-9-14-28-56(51)61;1-3-15-40(16-4-1)45-30-32-56-55-25-13-14-26-60(55)65(61(56)38-45)49-35-47(44-29-31-54-52-23-10-9-21-50(52)51-22-11-12-24-53(51)57(54)37-44)34-48(36-49)59-39-58(63-62(64-59)42-18-5-2-6-19-42)46-28-27-41-17-7-8-20-43(41)33-46/h1-45H;1-41H;1-39H
InChIKeyZFCZSZIUMZCQAP-UHFFFAOYSA-N
MW2630.24 g/mol
LogP52.90
Rot. Bonds20

About 9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole

9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole (PubChem CID 162102961) has the molecular formula C198H125N9 and a molecular weight of 2630.24 g/mol. Its IUPAC name is 9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
PubChem CID162102961
Molecular FormulaC198H125N9
Molecular Weight2630.24 g/mol
Exact Mass2628.01
IUPAC Name9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cc(-c6cc7ccccc7c7ccccc67)nc(-c6ccccc6)n5)c4)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccccc6)n5)c4)c3c2)cc1
InChIInChI=1S/C70H45N3.C66H41N3.C62H39N3/c1-5-19-46(20-6-1)51-34-36-64-63-31-17-18-32-68(63)73(69(64)44-51)57-41-54(50-33-35-62-60-29-14-13-27-58(60)59-28-15-16-30-61(59)65(62)43-50)40-56(42-57)67-45-66(71-70(72-67)49-25-11-4-12-26-49)55-38-52(47-21-7-2-8-22-47)37-53(39-55)48-23-9-3-10-24-48;1-3-17-42(18-4-1)45-32-34-59-58-29-15-16-30-64(58)69(65(59)40-45)49-36-47(44-31-33-57-54-26-11-10-24-52(54)53-25-12-13-27-55(53)60(57)38-44)35-48(37-49)62-41-63(68-66(67-62)43-19-5-2-6-20-43)61-39-46-21-7-8-22-50(46)51-23-9-14-28-56(51)61;1-3-15-40(16-4-1)45-30-32-56-55-25-13-14-26-60(55)65(61(56)38-45)49-35-47(44-29-31-54-52-23-10-9-21-50(52)51-22-11-12-24-53(51)57(54)37-44)34-48(36-49)59-39-58(63-62(64-59)42-18-5-2-6-19-42)46-28-27-41-17-7-8-20-43(41)33-46/h1-45H;1-41H;1-39H
InChIKeyZFCZSZIUMZCQAP-UHFFFAOYSA-N
XLogP52.90
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms207
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002630.24
LogP ≤ 552.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole with MolForge

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Related Compounds

9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
CID 139500404
9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
CID 139500855
9-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole
CID 139500861
2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole
CID 139500401
9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole
CID 169016925
9-[3-phenanthren-9-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole
CID 139500561
9-[3-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole
CID 139500477
3-[6-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-4-phenyl-2-pyridinyl]-9-phenylcarbazole
CID 139500873
9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
CID 139500408
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 71287038
9-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-5-phenylphenyl]-3-carbazol-9-ylcarbazole;3-carbazol-9-yl-9-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]carbazole;3-carbazol-9-yl-9-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)-5-phenylphenyl]carbazole;3-carbazol-9-yl-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159279604
9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole
CID 58527038

Frequently Asked Questions

What is the IUPAC name of 9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole?
The IUPAC name of 9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole (CID 162102961) is 9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole.
What is the SMILES notation for 9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole?
The canonical SMILES for 9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cc(-c6cc7ccccc7c7ccccc67)nc(-c6ccccc6)n5)c4)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccccc6)n5)c4)c3c2)cc1.
What is the InChIKey of 9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole?
The InChIKey is ZFCZSZIUMZCQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45N3.C66H41N3.C62H39N3/c1-5-19-46(20-6-1)51-34-36-64-63-31-17-18-32-68(63)73(69(64)44-51)57-41-54(50-33-35-62-60-29-14-13-27-58(60)59-28-15-16-30-61(59)65(62)43-50)40-56(42-57)67-45-66(71-70(72-67)49-25-11-4-12-26-49)55-38-52(47-21-7-2-8-22-47)37-53(39-55)48-23-9-3-10-24-48;1-3-17-42(18-4-1)45-32-34-59-58-29-15-16-30-64(58)69(65(59)40-45)49-36-47(44-31-33-57-54-26-11-10-24-52(54)53-25-12-13-27-55(53)60(57)38-44)35-48(37-49)62-41-63(68-66(67-62)43-19-5-2-6-20-43)61-39-46-21-7-8-22-50(46)51-23-9-14-28-56(51)61;1-3-15-40(16-4-1)45-30-32-56-55-25-13-14-26-60(55)65(61(56)38-45)49-35-47(44-29-31-54-52-23-10-9-21-50(52)51-22-11-12-24-53(51)57(54)37-44)34-48(36-49)59-39-58(63-62(64-59)42-18-5-2-6-19-42)46-28-27-41-17-7-8-20-43(41)33-46/h1-45H;1-41H;1-39H.
What are the key properties of 9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole?
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole has a molecular weight of 2630.24 g/mol, XLogP of 52.90, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole is sourced from PubChem (CID 162102961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).