2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C70H47N3 — CID 177079191

IUPAC2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)cc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C70H47N3/c1-7-21-48(22-8-1)51-35-39-54(40-36-51)67-71-68(55-41-37-52(38-42-55)49-23-9-2-10-24-49)73-69(72-67)63-47-57(50-25-11-3-12-26-50)46-61(66(63)53-27-13-4-14-28-53)56-43-44-65-62(45-56)60-33-19-20-34-64(60)70(65,58-29-15-5-16-30-58)59-31-17-6-18-32-59/h1-47H
InChIKeySWBXCFFMOHQGCQ-UHFFFAOYSA-N
MW930.17 g/mol
LogP17.57
Rot. Bonds10

About 2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 177079191) has the molecular formula C70H47N3 and a molecular weight of 930.17 g/mol. Its IUPAC name is 2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID177079191
Molecular FormulaC70H47N3
Molecular Weight930.17 g/mol
Exact Mass929.38
IUPAC Name2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)cc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C70H47N3/c1-7-21-48(22-8-1)51-35-39-54(40-36-51)67-71-68(55-41-37-52(38-42-55)49-23-9-2-10-24-49)73-69(72-67)63-47-57(50-25-11-3-12-26-50)46-61(66(63)53-27-13-4-14-28-53)56-43-44-65-62(45-56)60-33-19-20-34-64(60)70(65,58-29-15-5-16-30-58)59-31-17-6-18-32-59/h1-47H
InChIKeySWBXCFFMOHQGCQ-UHFFFAOYSA-N
XLogP17.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.17
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450656
2-dibenzofuran-2-yl-4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-6-phenyl-1,3,5-triazine
CID 177079133
2-(9,9-diphenylfluoren-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 162196090
4-[3-[4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 177079018
2-(9,9-diphenylfluoren-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 122416353
2-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 162487362
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146367888
4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 134272105
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-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177079134

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 177079191) is 2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)cc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is SWBXCFFMOHQGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47N3/c1-7-21-48(22-8-1)51-35-39-54(40-36-51)67-71-68(55-41-37-52(38-42-55)49-23-9-2-10-24-49)73-69(72-67)63-47-57(50-25-11-3-12-26-50)46-61(66(63)53-27-13-4-14-28-53)56-43-44-65-62(45-56)60-33-19-20-34-64(60)70(65,58-29-15-5-16-30-58)59-31-17-6-18-32-59/h1-47H.
What are the key properties of 2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 930.17 g/mol, XLogP of 17.57, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 177079191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).