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

C149H94N12 — CID 163536539

IUPAC2-[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
SMILES[C-]#[N+]c1ccc2c(c1)-c1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc3)cccc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1ccc2c(c1)-c1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6ccccc56)n4)cc3)cccc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1ccc2c(c1)-c1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/2C51H32N4.C47H30N4/c1-52-40-31-32-45-44(33-40)47-42(24-14-26-46(47)51(45,38-19-7-3-8-20-38)39-21-9-4-10-22-39)35-27-29-37(30-28-35)49-53-48(36-16-5-2-6-17-36)54-50(55-49)43-25-13-18-34-15-11-12-23-41(34)43;1-52-42-30-31-45-44(33-42)47-43(22-13-23-46(47)51(45,40-18-7-3-8-19-40)41-20-9-4-10-21-41)35-25-27-37(28-26-35)49-53-48(36-15-5-2-6-16-36)54-50(55-49)39-29-24-34-14-11-12-17-38(34)32-39;1-48-38-29-30-41-40(31-38)43-39(23-14-24-42(43)47(41,36-19-10-4-11-20-36)37-21-12-5-13-22-37)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*2-33H;2-31H
InChIKeyDXLUEOSADLESPA-UHFFFAOYSA-N
MW2052.47 g/mol
LogP36.67
Rot. Bonds18

About 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

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 (PubChem CID 163536539) has the molecular formula C149H94N12 and a molecular weight of 2052.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID163536539
Molecular FormulaC149H94N12
Molecular Weight2052.47 g/mol
Exact Mass2050.77
IUPAC Name2-[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
SMILES[C-]#[N+]c1ccc2c(c1)-c1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc3)cccc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1ccc2c(c1)-c1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6ccccc56)n4)cc3)cccc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1ccc2c(c1)-c1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/2C51H32N4.C47H30N4/c1-52-40-31-32-45-44(33-40)47-42(24-14-26-46(47)51(45,38-19-7-3-8-20-38)39-21-9-4-10-22-39)35-27-29-37(30-28-35)49-53-48(36-16-5-2-6-17-36)54-50(55-49)43-25-13-18-34-15-11-12-23-41(34)43;1-52-42-30-31-45-44(33-42)47-43(22-13-23-46(47)51(45,40-18-7-3-8-19-40)41-20-9-4-10-21-41)35-25-27-37(28-26-35)49-53-48(36-15-5-2-6-16-36)54-50(55-49)39-29-24-34-14-11-12-17-38(34)32-39;1-48-38-29-30-41-40(31-38)43-39(23-14-24-42(43)47(41,36-19-10-4-11-20-36)37-21-12-5-13-22-37)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*2-33H;2-31H
InChIKeyDXLUEOSADLESPA-UHFFFAOYSA-N
XLogP36.67
TPSA129.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002052.47
LogP ≤ 536.67
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-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 with MolForge

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Related Compounds

2-[3-(7-isocyano-9,9-diphenylfluoren-4-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 162776463
2-[3-(9,9-diphenylfluoren-4-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 146649016
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-(6-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 162776070
2-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenanthren-2-yl-1,3,5-triazine
CID 162196091
2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 155465716
2-(11,11-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164829465
4-[4-(7'-isocyano-9,9'-spirobi[fluorene]-4'-yl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 162776169
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-[3-(9,9-diphenylxanthen-2-yl)phenyl]-4-(4-isocyanophenyl)-6-naphthalen-1-yl-1,3,5-triazine
CID 166031492
2-(7,7-diphenylbenzo[c]fluoren-2-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-1-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(7,7-diphenylbenzo[c]fluoren-3-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 158307725
2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164974676

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1ccc2c(c1)-c1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc3)cccc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1ccc2c(c1)-c1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6ccccc56)n4)cc3)cccc1C2(c1ccccc1)c1ccccc1.[C-]#[N+]c1ccc2c(c1)-c1c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is DXLUEOSADLESPA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H32N4.C47H30N4/c1-52-40-31-32-45-44(33-40)47-42(24-14-26-46(47)51(45,38-19-7-3-8-20-38)39-21-9-4-10-22-39)35-27-29-37(30-28-35)49-53-48(36-16-5-2-6-17-36)54-50(55-49)43-25-13-18-34-15-11-12-23-41(34)43;1-52-42-30-31-45-44(33-42)47-43(22-13-23-46(47)51(45,40-18-7-3-8-19-40)41-20-9-4-10-21-41)35-25-27-37(28-26-35)49-53-48(36-15-5-2-6-16-36)54-50(55-49)39-29-24-34-14-11-12-17-38(34)32-39;1-48-38-29-30-41-40(31-38)43-39(23-14-24-42(43)47(41,36-19-10-4-11-20-36)37-21-12-5-13-22-37)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*2-33H;2-31H.
What are the key properties of 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?
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 has a molecular weight of 2052.47 g/mol, XLogP of 36.67, 18 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-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 is sourced from PubChem (CID 163536539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).