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

C159H102N12 — CID 163549178

IUPAC2-[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
SMILES[C-]#[N+]c1ccc2c(c1)-c1c(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)cccc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1cccc2c1-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1cccc2c1-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C59H38N4.C53H34N4.C47H30N4/c1-60-50-35-36-53-52(39-50)55-51(29-16-30-54(55)59(53,48-25-10-4-11-26-48)49-27-12-5-13-28-49)42-31-33-43(34-32-42)56-61-57(46-23-14-21-44(37-46)40-17-6-2-7-18-40)63-58(62-56)47-24-15-22-45(38-47)41-19-8-3-9-20-41;1-54-48-24-14-23-46-49(48)45-34-33-42(35-47(45)53(46,43-19-10-4-11-20-43)44-21-12-5-13-22-44)38-27-31-41(32-28-38)52-56-50(39-17-8-3-9-18-39)55-51(57-52)40-29-25-37(26-30-40)36-15-6-2-7-16-36;1-48-42-24-14-23-40-43(42)39-30-29-36(31-41(39)47(40,37-19-10-4-11-20-37)38-21-12-5-13-22-38)32-25-27-35(28-26-32)46-50-44(33-15-6-2-7-16-33)49-45(51-46)34-17-8-3-9-18-34/h2-39H;2-35H;2-31H
InChIKeyFHOXRXINNHTZHO-UHFFFAOYSA-N
MW2180.65 g/mol
LogP39.36
Rot. Bonds21

About 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

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 (PubChem CID 163549178) has the molecular formula C159H102N12 and a molecular weight of 2180.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID163549178
Molecular FormulaC159H102N12
Molecular Weight2180.65 g/mol
Exact Mass2178.84
IUPAC Name2-[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
SMILES[C-]#[N+]c1ccc2c(c1)-c1c(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)cccc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1cccc2c1-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1cccc2c1-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C59H38N4.C53H34N4.C47H30N4/c1-60-50-35-36-53-52(39-50)55-51(29-16-30-54(55)59(53,48-25-10-4-11-26-48)49-27-12-5-13-28-49)42-31-33-43(34-32-42)56-61-57(46-23-14-21-44(37-46)40-17-6-2-7-18-40)63-58(62-56)47-24-15-22-45(38-47)41-19-8-3-9-20-41;1-54-48-24-14-23-46-49(48)45-34-33-42(35-47(45)53(46,43-19-10-4-11-20-43)44-21-12-5-13-22-44)38-27-31-41(32-28-38)52-56-50(39-17-8-3-9-18-39)55-51(57-52)40-29-25-37(26-30-40)36-15-6-2-7-16-36;1-48-42-24-14-23-40-43(42)39-30-29-36(31-41(39)47(40,37-19-10-4-11-20-37)38-21-12-5-13-22-38)32-25-27-35(28-26-32)46-50-44(33-15-6-2-7-16-33)49-45(51-46)34-17-8-3-9-18-34/h2-39H;2-35H;2-31H
InChIKeyFHOXRXINNHTZHO-UHFFFAOYSA-N
XLogP39.36
TPSA129.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002180.65
LogP ≤ 539.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-[4-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162776080
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
2-[3-(5-isocyano-9,9'-spirobi[fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 162775713
2-[4-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162776039
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
2-[3-(6-isocyano-9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(3-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-dimethylfluoren-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 163634461
2-(3,5-diphenylphenyl)-4-[4-(6-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 162775952
4-[2-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 162776105
2-[3-(6-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 162776070
2-[4-(6-isocyano-9,9-diphenylfluoren-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(6-isocyano-9,9-diphenylfluoren-4-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-[4-(6-isocyano-9,9-diphenylfluoren-4-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163536539
4-[4-(5-isocyano-9,9'-spirobi[fluorene]-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 162775789
2-[4-(6-isocyano-9,9'-spirobi[fluorene]-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162776400

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1ccc2c(c1)-c1c(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)cccc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1cccc2c1-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1cccc2c1-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is FHOXRXINNHTZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4.C53H34N4.C47H30N4/c1-60-50-35-36-53-52(39-50)55-51(29-16-30-54(55)59(53,48-25-10-4-11-26-48)49-27-12-5-13-28-49)42-31-33-43(34-32-42)56-61-57(46-23-14-21-44(37-46)40-17-6-2-7-18-40)63-58(62-56)47-24-15-22-45(38-47)41-19-8-3-9-20-41;1-54-48-24-14-23-46-49(48)45-34-33-42(35-47(45)53(46,43-19-10-4-11-20-43)44-21-12-5-13-22-44)38-27-31-41(32-28-38)52-56-50(39-17-8-3-9-18-39)55-51(57-52)40-29-25-37(26-30-40)36-15-6-2-7-16-36;1-48-42-24-14-23-40-43(42)39-30-29-36(31-41(39)47(40,37-19-10-4-11-20-37)38-21-12-5-13-22-38)32-25-27-35(28-26-32)46-50-44(33-15-6-2-7-16-33)49-45(51-46)34-17-8-3-9-18-34/h2-39H;2-35H;2-31H.
What are the key properties of 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?
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 has a molecular weight of 2180.65 g/mol, XLogP of 39.36, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163549178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).