2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine

C66H43N3 — CID 171439388

IUPAC2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc(-c5cccc(-c6ccc(-c7ccc8ccccc8c7)cc6)c5)nc(-c5ccccc5-c5cccc6ccccc56)n4)cc32)cc1
InChIInChI=1S/C66H43N3/c1-3-23-53(24-4-1)66(54-25-5-2-6-26-54)61-32-14-13-29-58(61)59-40-39-52(43-62(59)66)64-67-63(68-65(69-64)60-30-12-11-28-57(60)56-31-16-20-47-18-9-10-27-55(47)56)51-22-15-21-49(42-51)45-33-35-46(36-34-45)50-38-37-44-17-7-8-19-48(44)41-50/h1-43H
InChIKeyPUPVNHBFPBHOEQ-UHFFFAOYSA-N
MW878.09 g/mol
LogP16.54
Rot. Bonds8

About 2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine

2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 171439388) has the molecular formula C66H43N3 and a molecular weight of 878.09 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
PubChem CID171439388
Molecular FormulaC66H43N3
Molecular Weight878.09 g/mol
Exact Mass877.35
IUPAC Name2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc(-c5cccc(-c6ccc(-c7ccc8ccccc8c7)cc6)c5)nc(-c5ccccc5-c5cccc6ccccc56)n4)cc32)cc1
InChIInChI=1S/C66H43N3/c1-3-23-53(24-4-1)66(54-25-5-2-6-26-54)61-32-14-13-29-58(61)59-40-39-52(43-62(59)66)64-67-63(68-65(69-64)60-30-12-11-28-57(60)56-31-16-20-47-18-9-10-27-55(47)56)51-22-15-21-49(42-51)45-33-35-46(36-34-45)50-38-37-44-17-7-8-19-48(44)41-50/h1-43H
InChIKeyPUPVNHBFPBHOEQ-UHFFFAOYSA-N
XLogP16.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.09
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine 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

2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 171592300
2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine
CID 122416419
2-(9,9-diphenylfluoren-2-yl)-4-phenanthren-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 122416383
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 155465716
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157208810
2-(2,4-diphenylphenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenanthren-2-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenanthren-9-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 165003640
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 176587539
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 122416420

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine (CID 171439388) is 2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc(-c5cccc(-c6ccc(-c7ccc8ccccc8c7)cc6)c5)nc(-c5ccccc5-c5cccc6ccccc56)n4)cc32)cc1.
What is the InChIKey of 2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is PUPVNHBFPBHOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3/c1-3-23-53(24-4-1)66(54-25-5-2-6-26-54)61-32-14-13-29-58(61)59-40-39-52(43-62(59)66)64-67-63(68-65(69-64)60-30-12-11-28-57(60)56-31-16-20-47-18-9-10-27-55(47)56)51-22-15-21-49(42-51)45-33-35-46(36-34-45)50-38-37-44-17-7-8-19-48(44)41-50/h1-43H.
What are the key properties of 2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine?
2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 878.09 g/mol, XLogP of 16.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 171439388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).