9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole

C213H131N9 — CID 159047884

IUPAC9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)nc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/2C71H43N3.C71H45N3/c1-2-19-44(20-3-1)65-43-66(59-30-18-34-64-69(59)58-29-10-15-33-63(58)71(64)61-31-13-8-25-54(61)55-26-9-14-32-62(55)71)73-70(72-65)47-39-46(40-48(41-47)74-67-35-16-11-27-56(67)57-28-12-17-36-68(57)74)45-37-38-53-51-23-5-4-21-49(51)50-22-6-7-24-52(50)60(53)42-45;1-2-18-44(19-3-1)66-43-67(46-35-37-58-57-26-10-15-31-64(57)71(65(58)42-46)62-29-13-8-24-55(62)56-25-9-14-30-63(56)71)73-70(72-66)48-38-47(39-49(40-48)74-68-32-16-11-27-59(68)60-28-12-17-33-69(60)74)45-34-36-54-52-22-5-4-20-50(52)51-21-6-7-23-53(51)61(54)41-45;1-4-21-46(22-5-1)65-45-66(61-34-20-36-64-69(61)60-33-14-17-35-63(60)71(64,50-23-6-2-7-24-50)51-25-8-3-9-26-51)73-70(72-65)49-41-48(42-52(43-49)74-67-37-18-15-31-58(67)59-32-16-19-38-68(59)74)47-39-40-57-55-29-11-10-27-53(55)54-28-12-13-30-56(54)62(57)44-47/h2*1-43H;1-45H
InChIKeyJWWOURGERLKZDF-UHFFFAOYSA-N
MW2816.45 g/mol
LogP54.15
Rot. Bonds17

About 9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole

9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole (PubChem CID 159047884) has the molecular formula C213H131N9 and a molecular weight of 2816.45 g/mol. Its IUPAC name is 9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole
PubChem CID159047884
Molecular FormulaC213H131N9
Molecular Weight2816.45 g/mol
Exact Mass2814.05
IUPAC Name9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)nc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/2C71H43N3.C71H45N3/c1-2-19-44(20-3-1)65-43-66(59-30-18-34-64-69(59)58-29-10-15-33-63(58)71(64)61-31-13-8-25-54(61)55-26-9-14-32-62(55)71)73-70(72-65)47-39-46(40-48(41-47)74-67-35-16-11-27-56(67)57-28-12-17-36-68(57)74)45-37-38-53-51-23-5-4-21-49(51)50-22-6-7-24-52(50)60(53)42-45;1-2-18-44(19-3-1)66-43-67(46-35-37-58-57-26-10-15-31-64(57)71(65(58)42-46)62-29-13-8-24-55(62)56-25-9-14-30-63(56)71)73-70(72-66)48-38-47(39-49(40-48)74-68-32-16-11-27-59(68)60-28-12-17-33-69(60)74)45-34-36-54-52-22-5-4-20-50(52)51-21-6-7-23-53(51)61(54)41-45;1-4-21-46(22-5-1)65-45-66(61-34-20-36-64-69(61)60-33-14-17-35-63(60)71(64,50-23-6-2-7-24-50)51-25-8-3-9-26-51)73-70(72-65)49-41-48(42-52(43-49)74-67-37-18-15-31-58(67)59-32-16-19-38-68(59)74)47-39-40-57-55-29-11-10-27-53(55)54-28-12-13-30-56(54)62(57)44-47/h2*1-43H;1-45H
InChIKeyJWWOURGERLKZDF-UHFFFAOYSA-N
XLogP54.15
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms222
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002816.45
LogP ≤ 554.15
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-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole with MolForge

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Related Compounds

9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;9-[3-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole
CID 160637809
2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine
CID 142356680
9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237278
9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole
CID 130355607
9-[3-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-phenanthren-9-ylphenyl]carbazole
CID 139500828
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 168777472
9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 167257276
2-[4-[6-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 167257271
4-[3-[5-(9,9-diphenylfluoren-2-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 138600177
9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 130452824
9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-2-pyridinyl]phenyl]-2-phenylcarbazole
CID 139500502
9-phenyl-2-(2-triphenylen-2-ylcarbazol-9-yl)carbazole;9-phenyl-2-[3-[2-(3-triphenylen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole;9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 160885222

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole?
The IUPAC name of 9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole (CID 159047884) is 9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole.
What is the SMILES notation for 9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole?
The canonical SMILES for 9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole is c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)nc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.
What is the InChIKey of 9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole?
The InChIKey is JWWOURGERLKZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C71H43N3.C71H45N3/c1-2-19-44(20-3-1)65-43-66(59-30-18-34-64-69(59)58-29-10-15-33-63(58)71(64)61-31-13-8-25-54(61)55-26-9-14-32-62(55)71)73-70(72-65)47-39-46(40-48(41-47)74-67-35-16-11-27-56(67)57-28-12-17-36-68(57)74)45-37-38-53-51-23-5-4-21-49(51)50-22-6-7-24-52(50)60(53)42-45;1-2-18-44(19-3-1)66-43-67(46-35-37-58-57-26-10-15-31-64(57)71(65(58)42-46)62-29-13-8-24-55(62)56-25-9-14-30-63(56)71)73-70(72-66)48-38-47(39-49(40-48)74-68-32-16-11-27-59(68)60-28-12-17-33-69(60)74)45-34-36-54-52-22-5-4-20-50(52)51-21-6-7-23-53(51)61(54)41-45;1-4-21-46(22-5-1)65-45-66(61-34-20-36-64-69(61)60-33-14-17-35-63(60)71(64,50-23-6-2-7-24-50)51-25-8-3-9-26-51)73-70(72-65)49-41-48(42-52(43-49)74-67-37-18-15-31-58(67)59-32-16-19-38-68(59)74)47-39-40-57-55-29-11-10-27-53(55)54-28-12-13-30-56(54)62(57)44-47/h2*1-43H;1-45H.
What are the key properties of 9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole?
9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole has a molecular weight of 2816.45 g/mol, XLogP of 54.15, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole is sourced from PubChem (CID 159047884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).