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

C62H43N3 — CID 145415039

IUPAC6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4ccccc4)NC(c4ccc(-c5c(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)ccc6ccccc56)cc4)=N3)cc2)cc1
InChIInChI=1S/C62H43N3/c1-5-17-42(18-6-1)43-29-33-47(34-30-43)60-63-59(46-20-7-2-8-21-46)64-61(65-60)48-35-31-45(32-36-48)58-52-26-14-13-19-44(52)37-39-53(58)49-38-40-55-54-27-15-16-28-56(54)62(57(55)41-49,50-22-9-3-10-23-50)51-24-11-4-12-25-51/h1-41,59H,(H,63,64,65)
InChIKeyCOURORKDMOUBBA-UHFFFAOYSA-N
MW830.05 g/mol
LogP14.70
Rot. Bonds8

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

6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine (PubChem CID 145415039) has the molecular formula C62H43N3 and a molecular weight of 830.05 g/mol. Its IUPAC name is 6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
PubChem CID145415039
Molecular FormulaC62H43N3
Molecular Weight830.05 g/mol
Exact Mass829.35
IUPAC Name6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4ccccc4)NC(c4ccc(-c5c(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)ccc6ccccc56)cc4)=N3)cc2)cc1
InChIInChI=1S/C62H43N3/c1-5-17-42(18-6-1)43-29-33-47(34-30-43)60-63-59(46-20-7-2-8-21-46)64-61(65-60)48-35-31-45(32-36-48)58-52-26-14-13-19-44(52)37-39-53(58)49-38-40-55-54-27-15-16-28-56(54)62(57(55)41-49,50-22-9-3-10-23-50)51-24-11-4-12-25-51/h1-41,59H,(H,63,64,65)
InChIKeyCOURORKDMOUBBA-UHFFFAOYSA-N
XLogP14.70
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.05
LogP ≤ 514.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 154940466
2-phenyl-4-(4-phenylphenyl)-6-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,5-triazine
CID 88890940
5-[5-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine
CID 129201152
6-[3-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-4-triphenylen-2-yl-1,2-dihydro-1,3,5-triazine
CID 174243644
4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 137223943
2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099536
2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 129227953
14-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-thioxanthene]
CID 146615950
4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170411210
10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 137217476
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 174245608

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine (CID 145415039) is 6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine is c1ccc(-c2ccc(C3=NC(c4ccccc4)NC(c4ccc(-c5c(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)ccc6ccccc56)cc4)=N3)cc2)cc1.
What is the InChIKey of 6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The InChIKey is COURORKDMOUBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N3/c1-5-17-42(18-6-1)43-29-33-47(34-30-43)60-63-59(46-20-7-2-8-21-46)64-61(65-60)48-35-31-45(32-36-48)58-52-26-14-13-19-44(52)37-39-53(58)49-38-40-55-54-27-15-16-28-56(54)62(57(55)41-49,50-22-9-3-10-23-50)51-24-11-4-12-25-51/h1-41,59H,(H,63,64,65).
What are the key properties of 6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine has a molecular weight of 830.05 g/mol, XLogP of 14.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 145415039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).