9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole

C231H168N12 — CID 159972538

IUPAC9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c6cc(-c7ccccc7)ccc6n(-c6ccccc6)c5c4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)n4)cc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3)cc21.CCCC1(CCC)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)n3)cc21.c1ccc(-c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C64H47N3.C61H43N3.C53H35N3.C53H43N3/c1-63(2)54-24-14-11-21-48(54)50-30-27-43(37-56(50)63)45-33-46(35-47(34-45)67-60-26-16-13-23-52(60)53-36-42(29-32-61(53)67)40-17-7-5-8-18-40)62-65-58(41-19-9-6-10-20-41)39-59(66-62)44-28-31-51-49-22-12-15-25-55(49)64(3,4)57(51)38-44;1-61(2)54-26-16-15-25-50(54)51-30-27-44(37-55(51)61)46-33-47(35-48(34-46)60-62-56(41-19-9-4-10-20-41)39-57(63-60)42-21-11-5-12-22-42)45-28-31-52-53-36-43(40-17-7-3-8-18-40)29-32-58(53)64(59(52)38-45)49-23-13-6-14-24-49;1-4-16-36(17-5-1)48-35-49(55-52(54-48)37-28-31-41(32-29-37)56-50-26-14-11-23-44(50)45-24-12-15-27-51(45)56)38-30-33-43-42-22-10-13-25-46(42)53(47(43)34-38,39-18-6-2-7-19-39)40-20-8-3-9-21-40;1-3-30-53(31-4-2)46-24-13-11-22-42(46)43-28-27-39(33-47(43)53)49-35-48(36-16-7-5-8-17-36)54-52(55-49)40-19-15-18-37(32-40)38-26-29-45-44-23-12-14-25-50(44)56(51(45)34-38)41-20-9-6-10-21-41/h5-39H,1-4H3;3-39H,1-2H3;1-35H;5-29,32-35H,3-4,30-31H2,1-2H3
InChIKeyOESSJIIQVLSVQE-UHFFFAOYSA-N
MW3111.97 g/mol
LogP59.45
Rot. Bonds28

About 9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole

9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole (PubChem CID 159972538) has the molecular formula C231H168N12 and a molecular weight of 3111.97 g/mol. Its IUPAC name is 9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole
PubChem CID159972538
Molecular FormulaC231H168N12
Molecular Weight3111.97 g/mol
Exact Mass3109.35
IUPAC Name9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c6cc(-c7ccccc7)ccc6n(-c6ccccc6)c5c4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)n4)cc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3)cc21.CCCC1(CCC)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)n3)cc21.c1ccc(-c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C64H47N3.C61H43N3.C53H35N3.C53H43N3/c1-63(2)54-24-14-11-21-48(54)50-30-27-43(37-56(50)63)45-33-46(35-47(34-45)67-60-26-16-13-23-52(60)53-36-42(29-32-61(53)67)40-17-7-5-8-18-40)62-65-58(41-19-9-6-10-20-41)39-59(66-62)44-28-31-51-49-22-12-15-25-55(49)64(3,4)57(51)38-44;1-61(2)54-26-16-15-25-50(54)51-30-27-44(37-55(51)61)46-33-47(35-48(34-46)60-62-56(41-19-9-4-10-20-41)39-57(63-60)42-21-11-5-12-22-42)45-28-31-52-53-36-43(40-17-7-3-8-18-40)29-32-58(53)64(59(52)38-45)49-23-13-6-14-24-49;1-4-16-36(17-5-1)48-35-49(55-52(54-48)37-28-31-41(32-29-37)56-50-26-14-11-23-44(50)45-24-12-15-27-51(45)56)38-30-33-43-42-22-10-13-25-46(42)53(47(43)34-38,39-18-6-2-7-19-39)40-20-8-3-9-21-40;1-3-30-53(31-4-2)46-24-13-11-22-42(46)43-28-27-39(33-47(43)53)49-35-48(36-16-7-5-8-17-36)54-52(55-49)40-19-15-18-37(32-40)38-26-29-45-44-23-12-14-25-50(44)56(51(45)34-38)41-20-9-6-10-21-41/h5-39H,1-4H3;3-39H,1-2H3;1-35H;5-29,32-35H,3-4,30-31H2,1-2H3
InChIKeyOESSJIIQVLSVQE-UHFFFAOYSA-N
XLogP59.45
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003111.97
LogP ≤ 559.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole with MolForge

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Related Compounds

9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;3-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)pyrimidin-4-yl]-9-phenylcarbazole;9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole
CID 159446739
3-[9-[4-[6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158207100
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
CID 160549549
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 159307111
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
9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 67678590
3-(9,9-dimethylfluoren-2-yl)-9-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole;9-(3,5-diphenylphenyl)-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 158206724

Frequently Asked Questions

What is the IUPAC name of 9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole (CID 159972538) is 9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c6cc(-c7ccccc7)ccc6n(-c6ccccc6)c5c4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)n4)cc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3)cc21.CCCC1(CCC)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)n3)cc21.c1ccc(-c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole?
The InChIKey is OESSJIIQVLSVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N3.C61H43N3.C53H35N3.C53H43N3/c1-63(2)54-24-14-11-21-48(54)50-30-27-43(37-56(50)63)45-33-46(35-47(34-45)67-60-26-16-13-23-52(60)53-36-42(29-32-61(53)67)40-17-7-5-8-18-40)62-65-58(41-19-9-6-10-20-41)39-59(66-62)44-28-31-51-49-22-12-15-25-55(49)64(3,4)57(51)38-44;1-61(2)54-26-16-15-25-50(54)51-30-27-44(37-55(51)61)46-33-47(35-48(34-46)60-62-56(41-19-9-4-10-20-41)39-57(63-60)42-21-11-5-12-22-42)45-28-31-52-53-36-43(40-17-7-3-8-18-40)29-32-58(53)64(59(52)38-45)49-23-13-6-14-24-49;1-4-16-36(17-5-1)48-35-49(55-52(54-48)37-28-31-41(32-29-37)56-50-26-14-11-23-44(50)45-24-12-15-27-51(45)56)38-30-33-43-42-22-10-13-25-46(42)53(47(43)34-38,39-18-6-2-7-19-39)40-20-8-3-9-21-40;1-3-30-53(31-4-2)46-24-13-11-22-42(46)43-28-27-39(33-47(43)53)49-35-48(36-16-7-5-8-17-36)54-52(55-49)40-19-15-18-37(32-40)38-26-29-45-44-23-12-14-25-50(44)56(51(45)34-38)41-20-9-6-10-21-41/h5-39H,1-4H3;3-39H,1-2H3;1-35H;5-29,32-35H,3-4,30-31H2,1-2H3.
What are the key properties of 9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole?
9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole has a molecular weight of 3111.97 g/mol, XLogP of 59.45, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(9,9-dimethylfluoren-2-yl)-5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3-phenylcarbazole;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,9-diphenylcarbazole;9-[4-[4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[3-[4-(9,9-dipropylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 159972538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).