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

C157H100N12 — CID 163850365

IUPAC2-[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
SMILES[C-]#[N+]c1cccc2c1-c1cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1cccc2c1-c1ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1cccc2c1-c1ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C59H38N4.C51H32N4.C47H30N4/c1-60-54-27-15-26-52-55(54)51-37-36-47(39-53(51)59(52,49-22-10-4-11-23-49)50-24-12-5-13-25-50)46-20-14-21-48(38-46)58-62-56(44-32-28-42(29-33-44)40-16-6-2-7-17-40)61-57(63-58)45-34-30-43(31-35-45)41-18-8-3-9-19-41;1-52-46-26-14-25-44-47(46)43-30-29-38(33-45(43)51(44,41-21-7-3-8-22-41)42-23-9-4-10-24-42)37-19-13-20-39(32-37)49-53-48(35-16-5-2-6-17-35)54-50(55-49)40-28-27-34-15-11-12-18-36(34)31-40;1-48-42-27-15-26-41-43(42)39-31-35(28-29-40(39)47(41,37-22-10-4-11-23-37)38-24-12-5-13-25-38)34-20-14-21-36(30-34)46-50-44(32-16-6-2-7-17-32)49-45(51-46)33-18-8-3-9-19-33/h2-39H;2-33H;2-31H
InChIKeyOTVUNKPDGWEQGP-UHFFFAOYSA-N
MW2154.61 g/mol
LogP38.85
Rot. Bonds20

About 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

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 (PubChem CID 163850365) has the molecular formula C157H100N12 and a molecular weight of 2154.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID163850365
Molecular FormulaC157H100N12
Molecular Weight2154.61 g/mol
Exact Mass2152.82
IUPAC Name2-[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
SMILES[C-]#[N+]c1cccc2c1-c1cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1cccc2c1-c1ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1cccc2c1-c1ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C59H38N4.C51H32N4.C47H30N4/c1-60-54-27-15-26-52-55(54)51-37-36-47(39-53(51)59(52,49-22-10-4-11-23-49)50-24-12-5-13-25-50)46-20-14-21-48(38-46)58-62-56(44-32-28-42(29-33-44)40-16-6-2-7-17-40)61-57(63-58)45-34-30-43(31-35-45)41-18-8-3-9-19-41;1-52-46-26-14-25-44-47(46)43-30-29-38(33-45(43)51(44,41-21-7-3-8-22-41)42-23-9-4-10-24-42)37-19-13-20-39(32-37)49-53-48(35-16-5-2-6-17-35)54-50(55-49)40-28-27-34-15-11-12-18-36(34)31-40;1-48-42-27-15-26-41-43(42)39-31-35(28-29-40(39)47(41,37-22-10-4-11-23-37)38-24-12-5-13-25-38)34-20-14-21-36(30-34)46-50-44(32-16-6-2-7-17-32)49-45(51-46)33-18-8-3-9-19-33/h2-39H;2-33H;2-31H
InChIKeyOTVUNKPDGWEQGP-UHFFFAOYSA-N
XLogP38.85
TPSA129.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002154.61
LogP ≤ 538.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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)-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 with MolForge

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Related Compounds

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-[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
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-(5-isocyano-9,9'-spirobi[fluorene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 162775713
4-[2-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 162776105
2-[4-(5-isocyano-9,9-dimethylfluoren-3-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 162775838
4-[4-(5-isocyano-9,9'-spirobi[fluorene]-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 162775789
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-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159194371
2-[3-(5-isocyano-9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162775840
2-[4-[3-(5-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 162775812

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1cccc2c1-c1cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1cccc2c1-c1ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1cccc2c1-c1ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)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)-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?
The InChIKey is OTVUNKPDGWEQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4.C51H32N4.C47H30N4/c1-60-54-27-15-26-52-55(54)51-37-36-47(39-53(51)59(52,49-22-10-4-11-23-49)50-24-12-5-13-25-50)46-20-14-21-48(38-46)58-62-56(44-32-28-42(29-33-44)40-16-6-2-7-17-40)61-57(63-58)45-34-30-43(31-35-45)41-18-8-3-9-19-41;1-52-46-26-14-25-44-47(46)43-30-29-38(33-45(43)51(44,41-21-7-3-8-22-41)42-23-9-4-10-24-42)37-19-13-20-39(32-37)49-53-48(35-16-5-2-6-17-35)54-50(55-49)40-28-27-34-15-11-12-18-36(34)31-40;1-48-42-27-15-26-41-43(42)39-31-35(28-29-40(39)47(41,37-22-10-4-11-23-37)38-24-12-5-13-25-38)34-20-14-21-36(30-34)46-50-44(32-16-6-2-7-17-32)49-45(51-46)33-18-8-3-9-19-33/h2-39H;2-33H;2-31H.
What are the key properties of 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?
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 has a molecular weight of 2154.61 g/mol, XLogP of 38.85, 20 rotatable bonds, 0 hydrogen bond donors, and 9 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)-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 is sourced from PubChem (CID 163850365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).