2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline;2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline

C135H98N6 — CID 158083972

About 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline;2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline

2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline;2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline (PubChem CID 158083972) has the molecular formula C135H98N6 and a molecular weight of 1804.31 g/mol. Its IUPAC name is 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline;2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline.

Molecular Properties

• Compound Name: 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline;2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline
• PubChem CID: 158083972
• Molecular Formula: C135H98N6
• Molecular Weight: 1804.31 g/mol
• Exact Mass: 1802.79
• IUPAC Name: 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline;2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc5c4n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(-n6c(-c7ccccc7)nc(-c7ccccc7)c6-c6ccccc6)cc5)c5ccccc5c4n3)cc21
• InChI: InChI=1S/C70H51N3.C65H47N3/c1-69(2)60-30-18-16-27-52(60)54-38-34-48(40-62(54)69)58-43-64(49-35-39-55-53-28-17-19-31-61(53)70(3,4)63(55)41-49)71-66-56-29-15-14-26-51(56)57(42-59(58)66)44-32-36-50(37-33-44)73-67(46-22-10-6-11-23-46)65(45-20-8-5-9-21-45)72-68(73)47-24-12-7-13-25-47;1-64(2)55-25-15-13-22-47(55)49-33-31-44(35-57(49)64)53-38-59(45-32-34-50-48-23-14-16-26-56(48)65(3,4)58(50)36-45)66-62-51-24-12-11-21-46(51)52(37-54(53)62)40-27-29-42(30-28-40)61-39-60(41-17-7-5-8-18-41)67-63(68-61)43-19-9-6-10-20-43/h5-43H,1-4H3;5-39H,1-4H3
• InChIKey: FNHFKQFSSXZKOO-UHFFFAOYSA-N
• XLogP: 34.98
• TPSA: 69.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1804.31
LogP ≤ 5	34.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline;2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline?

The IUPAC name of 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline;2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline (CID 158083972) is 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline;2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline.

What is the SMILES notation for 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline;2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline?

The canonical SMILES for 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline;2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc5c4n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc(-n6c(-c7ccccc7)nc(-c7ccccc7)c6-c6ccccc6)cc5)c5ccccc5c4n3)cc21.

What is the InChIKey of 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline;2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline?

The InChIKey is FNHFKQFSSXZKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H51N3.C65H47N3/c1-69(2)60-30-18-16-27-52(60)54-38-34-48(40-62(54)69)58-43-64(49-35-39-55-53-28-17-19-31-61(53)70(3,4)63(55)41-49)71-66-56-29-15-14-26-51(56)57(42-59(58)66)44-32-36-50(37-33-44)73-67(46-22-10-6-11-23-46)65(45-20-8-5-9-21-45)72-68(73)47-24-12-7-13-25-47;1-64(2)55-25-15-13-22-47(55)49-33-31-44(35-57(49)64)53-38-59(45-32-34-50-48-23-14-16-26-56(48)65(3,4)58(50)36-45)66-62-51-24-12-11-21-46(51)52(37-54(53)62)40-27-29-42(30-28-40)61-39-60(41-17-7-5-8-18-41)67-63(68-61)43-19-9-6-10-20-43/h5-43H,1-4H3;5-39H,1-4H3.

What are the key properties of 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline;2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline?

2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline;2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline has a molecular weight of 1804.31 g/mol, XLogP of 34.98, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline;2,4-bis(9,9-dimethylfluoren-2-yl)-6-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline is sourced from PubChem (CID 158083972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).