2-(3,5-diphenylphenyl)-4-[4-(5-isocyano-9,9'-spirobi[fluorene]-3-yl)phenyl]-6-phenyl-1,3,5-triazine;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile;5'-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile

C157H94N12 — CID 163724031

IUPAC2-(3,5-diphenylphenyl)-4-[4-(5-isocyano-9,9'-spirobi[fluorene]-3-yl)phenyl]-6-phenyl-1,3,5-triazine;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile;5'-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile
SMILESN#Cc1cccc2c1-c1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6ccccc56)n4)cc3)cccc1C21c2ccccc2-c2ccccc21.N#Cc1cccc2c1-c1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc1C21c2ccccc2-c2ccccc21.[C-]#[N+]c1cccc2c1-c1cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)cc3)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C59H36N4.C51H30N4.C47H28N4/c1-60-54-27-15-26-53-55(54)49-37-43(32-33-52(49)59(53)50-24-13-11-22-47(50)48-23-12-14-25-51(48)59)40-28-30-42(31-29-40)57-61-56(41-20-9-4-10-21-41)62-58(63-57)46-35-44(38-16-5-2-6-17-38)34-45(36-46)39-18-7-3-8-19-39;52-31-36-17-11-25-44-46(36)47-38(21-12-26-45(47)51(44)42-23-8-6-19-39(42)40-20-7-9-24-43(40)51)33-27-29-35(30-28-33)49-53-48(34-14-2-1-3-15-34)54-50(55-49)41-22-10-16-32-13-4-5-18-37(32)41;48-29-34-17-11-23-40-42(34)43-35(20-12-24-41(43)47(40)38-21-9-7-18-36(38)37-19-8-10-22-39(37)47)30-25-27-33(28-26-30)46-50-44(31-13-3-1-4-14-31)49-45(51-46)32-15-5-2-6-16-32/h2-37H;1-30H;1-28H
InChIKeyKUBALFYIAIJMKL-UHFFFAOYSA-N
MW2148.56 g/mol
LogP37.43
Rot. Bonds14

About 2-(3,5-diphenylphenyl)-4-[4-(5-isocyano-9,9'-spirobi[fluorene]-3-yl)phenyl]-6-phenyl-1,3,5-triazine;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile;5'-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile

2-(3,5-diphenylphenyl)-4-[4-(5-isocyano-9,9'-spirobi[fluorene]-3-yl)phenyl]-6-phenyl-1,3,5-triazine;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile;5'-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile (PubChem CID 163724031) has the molecular formula C157H94N12 and a molecular weight of 2148.56 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-[4-(5-isocyano-9,9'-spirobi[fluorene]-3-yl)phenyl]-6-phenyl-1,3,5-triazine;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile;5'-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile.

Molecular Properties

Compound Name2-(3,5-diphenylphenyl)-4-[4-(5-isocyano-9,9'-spirobi[fluorene]-3-yl)phenyl]-6-phenyl-1,3,5-triazine;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile;5'-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile
PubChem CID163724031
Molecular FormulaC157H94N12
Molecular Weight2148.56 g/mol
Exact Mass2146.77
IUPAC Name2-(3,5-diphenylphenyl)-4-[4-(5-isocyano-9,9'-spirobi[fluorene]-3-yl)phenyl]-6-phenyl-1,3,5-triazine;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile;5'-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile
SMILESN#Cc1cccc2c1-c1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6ccccc56)n4)cc3)cccc1C21c2ccccc2-c2ccccc21.N#Cc1cccc2c1-c1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc1C21c2ccccc2-c2ccccc21.[C-]#[N+]c1cccc2c1-c1cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)cc3)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C59H36N4.C51H30N4.C47H28N4/c1-60-54-27-15-26-53-55(54)49-37-43(32-33-52(49)59(53)50-24-13-11-22-47(50)48-23-12-14-25-51(48)59)40-28-30-42(31-29-40)57-61-56(41-20-9-4-10-21-41)62-58(63-57)46-35-44(38-16-5-2-6-17-38)34-45(36-46)39-18-7-3-8-19-39;52-31-36-17-11-25-44-46(36)47-38(21-12-26-45(47)51(44)42-23-8-6-19-39(42)40-20-7-9-24-43(40)51)33-27-29-35(30-28-33)49-53-48(34-14-2-1-3-15-34)54-50(55-49)41-22-10-16-32-13-4-5-18-37(32)41;48-29-34-17-11-23-40-42(34)43-35(20-12-24-41(43)47(40)38-21-9-7-18-36(38)37-19-8-10-22-39(37)47)30-25-27-33(28-26-30)46-50-44(31-13-3-1-4-14-31)49-45(51-46)32-15-5-2-6-16-32/h2-37H;1-30H;1-28H
InChIKeyKUBALFYIAIJMKL-UHFFFAOYSA-N
XLogP37.43
TPSA167.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002148.56
LogP ≤ 537.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-(3,5-diphenylphenyl)-4-[4-(5-isocyano-9,9'-spirobi[fluorene]-3-yl)phenyl]-6-phenyl-1,3,5-triazine;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile;5'-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5'-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile
CID 162775862
5'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile
CID 162776457
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
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-carbonitrile
CID 166796549
9,9-dimethyl-5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]fluorene-4-carbonitrile
CID 162775917
5-[4-(2-naphthalen-1-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluorene-4-carbonitrile
CID 162775821
4-[4-(5-isocyano-9,9'-spirobi[fluorene]-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 162775789
2-naphthalen-1-yl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146187468
7'-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile
CID 166796512
2-naphthalen-1-yl-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648556
4-[2-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 162776105

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-4-[4-(5-isocyano-9,9'-spirobi[fluorene]-3-yl)phenyl]-6-phenyl-1,3,5-triazine;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile;5'-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile?
The IUPAC name of 2-(3,5-diphenylphenyl)-4-[4-(5-isocyano-9,9'-spirobi[fluorene]-3-yl)phenyl]-6-phenyl-1,3,5-triazine;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile;5'-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile (CID 163724031) is 2-(3,5-diphenylphenyl)-4-[4-(5-isocyano-9,9'-spirobi[fluorene]-3-yl)phenyl]-6-phenyl-1,3,5-triazine;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile;5'-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile.
What is the SMILES notation for 2-(3,5-diphenylphenyl)-4-[4-(5-isocyano-9,9'-spirobi[fluorene]-3-yl)phenyl]-6-phenyl-1,3,5-triazine;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile;5'-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile?
The canonical SMILES for 2-(3,5-diphenylphenyl)-4-[4-(5-isocyano-9,9'-spirobi[fluorene]-3-yl)phenyl]-6-phenyl-1,3,5-triazine;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile;5'-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile is N#Cc1cccc2c1-c1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6ccccc56)n4)cc3)cccc1C21c2ccccc2-c2ccccc21.N#Cc1cccc2c1-c1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc1C21c2ccccc2-c2ccccc21.[C-]#[N+]c1cccc2c1-c1cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)cc3)ccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(3,5-diphenylphenyl)-4-[4-(5-isocyano-9,9'-spirobi[fluorene]-3-yl)phenyl]-6-phenyl-1,3,5-triazine;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile;5'-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile?
The InChIKey is KUBALFYIAIJMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4.C51H30N4.C47H28N4/c1-60-54-27-15-26-53-55(54)49-37-43(32-33-52(49)59(53)50-24-13-11-22-47(50)48-23-12-14-25-51(48)59)40-28-30-42(31-29-40)57-61-56(41-20-9-4-10-21-41)62-58(63-57)46-35-44(38-16-5-2-6-17-38)34-45(36-46)39-18-7-3-8-19-39;52-31-36-17-11-25-44-46(36)47-38(21-12-26-45(47)51(44)42-23-8-6-19-39(42)40-20-7-9-24-43(40)51)33-27-29-35(30-28-33)49-53-48(34-14-2-1-3-15-34)54-50(55-49)41-22-10-16-32-13-4-5-18-37(32)41;48-29-34-17-11-23-40-42(34)43-35(20-12-24-41(43)47(40)38-21-9-7-18-36(38)37-19-8-10-22-39(37)47)30-25-27-33(28-26-30)46-50-44(31-13-3-1-4-14-31)49-45(51-46)32-15-5-2-6-16-32/h2-37H;1-30H;1-28H.
What are the key properties of 2-(3,5-diphenylphenyl)-4-[4-(5-isocyano-9,9'-spirobi[fluorene]-3-yl)phenyl]-6-phenyl-1,3,5-triazine;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile;5'-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile?
2-(3,5-diphenylphenyl)-4-[4-(5-isocyano-9,9'-spirobi[fluorene]-3-yl)phenyl]-6-phenyl-1,3,5-triazine;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile;5'-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile has a molecular weight of 2148.56 g/mol, XLogP of 37.43, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylphenyl)-4-[4-(5-isocyano-9,9'-spirobi[fluorene]-3-yl)phenyl]-6-phenyl-1,3,5-triazine;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile;5'-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-4'-carbonitrile is sourced from PubChem (CID 163724031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).