2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine

C160H103N9 — CID 163806091

IUPAC2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine
SMILES[C-]#[N+]c1cccc2c1-c1cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1cccc2c1-c1ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c3)cc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1cccc2c1-c1ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C60H39N3.C52H33N3.C48H31N3/c1-61-55-27-15-26-53-58(55)52-37-36-48(39-54(52)60(53,50-22-10-4-11-23-50)51-24-12-5-13-25-51)47-20-14-21-49(38-47)59-62-56(45-32-28-43(29-33-45)41-16-6-2-7-17-41)40-57(63-59)46-34-30-44(31-35-46)42-18-8-3-9-19-42;1-53-47-26-14-25-45-50(47)44-30-29-39(33-46(44)52(45,42-21-7-3-8-22-42)43-23-9-4-10-24-43)38-19-13-20-40(31-38)49-34-48(36-16-5-2-6-17-36)54-51(55-49)41-28-27-35-15-11-12-18-37(35)32-41;1-49-43-27-15-26-42-46(43)40-31-36(28-29-41(40)48(42,38-22-10-4-11-23-38)39-24-12-5-13-25-39)35-20-14-21-37(30-35)45-32-44(33-16-6-2-7-17-33)50-47(51-45)34-18-8-3-9-19-34/h2-40H;2-34H;2-32H
InChIKeyNJEDLNPIFKLAOR-UHFFFAOYSA-N
MW2151.65 g/mol
LogP40.66
Rot. Bonds20

About 2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine

2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine (PubChem CID 163806091) has the molecular formula C160H103N9 and a molecular weight of 2151.65 g/mol. Its IUPAC name is 2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine.

Molecular Properties

Compound Name2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine
PubChem CID163806091
Molecular FormulaC160H103N9
Molecular Weight2151.65 g/mol
Exact Mass2149.83
IUPAC Name2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine
SMILES[C-]#[N+]c1cccc2c1-c1cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1cccc2c1-c1ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c3)cc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1cccc2c1-c1ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C60H39N3.C52H33N3.C48H31N3/c1-61-55-27-15-26-53-58(55)52-37-36-48(39-54(52)60(53,50-22-10-4-11-23-50)51-24-12-5-13-25-51)47-20-14-21-49(38-47)59-62-56(45-32-28-43(29-33-45)41-16-6-2-7-17-41)40-57(63-59)46-34-30-44(31-35-46)42-18-8-3-9-19-42;1-53-47-26-14-25-45-50(47)44-30-29-39(33-46(44)52(45,42-21-7-3-8-22-42)43-23-9-4-10-24-43)38-19-13-20-40(31-38)49-34-48(36-16-5-2-6-17-36)54-51(55-49)41-28-27-35-15-11-12-18-37(35)32-41;1-49-43-27-15-26-42-46(43)40-31-36(28-29-41(40)48(42,38-22-10-4-11-23-38)39-24-12-5-13-25-39)35-20-14-21-37(30-35)45-32-44(33-16-6-2-7-17-33)50-47(51-45)34-18-8-3-9-19-34/h2-40H;2-34H;2-32H
InChIKeyNJEDLNPIFKLAOR-UHFFFAOYSA-N
XLogP40.66
TPSA90.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002151.65
LogP ≤ 540.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine with MolForge

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Related Compounds

2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163850365
4-[2-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 162776105
2-[4-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162776039
2-[4-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162776080
4-[4-(5-isocyano-9,9'-spirobi[fluorene]-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 162775789
2-[4-(6-isocyano-9,9-diphenylfluoren-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163549178
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 146221100
2-[3-(5-isocyano-9,9'-spirobi[fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 162775713
4-[3-[4-(5-isocyano-9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 162776115
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159851053
7'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile;2-[4-[3-(6-isocyano-9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 163968251
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 157413794

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine?
The IUPAC name of 2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine (CID 163806091) is 2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine.
What is the SMILES notation for 2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine?
The canonical SMILES for 2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine is [C-]#[N+]c1cccc2c1-c1cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1cccc2c1-c1ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c3)cc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1cccc2c1-c1ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine?
The InChIKey is NJEDLNPIFKLAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3.C52H33N3.C48H31N3/c1-61-55-27-15-26-53-58(55)52-37-36-48(39-54(52)60(53,50-22-10-4-11-23-50)51-24-12-5-13-25-51)47-20-14-21-49(38-47)59-62-56(45-32-28-43(29-33-45)41-16-6-2-7-17-41)40-57(63-59)46-34-30-44(31-35-46)42-18-8-3-9-19-42;1-53-47-26-14-25-45-50(47)44-30-29-39(33-46(44)52(45,42-21-7-3-8-22-42)43-23-9-4-10-24-43)38-19-13-20-40(31-38)49-34-48(36-16-5-2-6-17-36)54-51(55-49)41-28-27-35-15-11-12-18-37(35)32-41;1-49-43-27-15-26-42-46(43)40-31-36(28-29-41(40)48(42,38-22-10-4-11-23-38)39-24-12-5-13-25-39)35-20-14-21-37(30-35)45-32-44(33-16-6-2-7-17-33)50-47(51-45)34-18-8-3-9-19-34/h2-40H;2-34H;2-32H.
What are the key properties of 2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine?
2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine has a molecular weight of 2151.65 g/mol, XLogP of 40.66, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine is sourced from PubChem (CID 163806091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).