2,4-diphenyl-6-[4-(3'-phenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)phenyl]-1,3,5-triazine

C50H31N3S — CID 156530529

IUPAC2,4-diphenyl-6-[4-(3'-phenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4sc(-c5ccccc5)c5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C50H31N3S/c1-4-16-32(17-5-1)46-44-43(39-24-12-15-27-42(39)50(44)40-25-13-10-22-37(40)38-23-11-14-26-41(38)50)45(54-46)33-28-30-36(31-29-33)49-52-47(34-18-6-2-7-19-34)51-48(53-49)35-20-8-3-9-21-35/h1-31H
InChIKeyIOXPUQXHBUPMHJ-UHFFFAOYSA-N
MW705.89 g/mol
LogP12.61
Rot. Bonds5

About 2,4-diphenyl-6-[4-(3'-phenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)phenyl]-1,3,5-triazine

2,4-diphenyl-6-[4-(3'-phenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)phenyl]-1,3,5-triazine (PubChem CID 156530529) has the molecular formula C50H31N3S and a molecular weight of 705.89 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-(3'-phenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-(3'-phenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)phenyl]-1,3,5-triazine
PubChem CID156530529
Molecular FormulaC50H31N3S
Molecular Weight705.89 g/mol
Exact Mass705.22
IUPAC Name2,4-diphenyl-6-[4-(3'-phenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4sc(-c5ccccc5)c5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C50H31N3S/c1-4-16-32(17-5-1)46-44-43(39-24-12-15-27-42(39)50(44)40-25-13-10-22-37(40)38-23-11-14-26-41(38)50)45(54-46)33-28-30-36(31-29-33)49-52-47(34-18-6-2-7-19-34)51-48(53-49)35-20-8-3-9-21-35/h1-31H
InChIKeyIOXPUQXHBUPMHJ-UHFFFAOYSA-N
XLogP12.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.89
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4,4-dimethyl-1-phenylindeno[1,2-c]thiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 156530253
2-[3-[4,4-dimethyl-1-phenyl-3-(3-phenylphenyl)indeno[1,2-c]thiophen-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 156530503
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 139521250
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272112
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 159399001
2-phenyl-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine
CID 146649119
2,4-diphenyl-6-[3-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614290
2-(6H-benzo[c]chromen-3-yl)-4-dibenzofuran-3-yl-6-(1',3'-diphenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-4-yl)-1,3,5-triazine
CID 156530703
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl-1,3,5-triazine
CID 153287675
2-(4-phenylphenyl)-4-(4-pyridin-4-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146633327
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-(3'-phenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-(3'-phenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)phenyl]-1,3,5-triazine (CID 156530529) is 2,4-diphenyl-6-[4-(3'-phenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-(3'-phenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-(3'-phenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4sc(-c5ccccc5)c5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-(3'-phenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)phenyl]-1,3,5-triazine?
The InChIKey is IOXPUQXHBUPMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3S/c1-4-16-32(17-5-1)46-44-43(39-24-12-15-27-42(39)50(44)40-25-13-10-22-37(40)38-23-11-14-26-41(38)50)45(54-46)33-28-30-36(31-29-33)49-52-47(34-18-6-2-7-19-34)51-48(53-49)35-20-8-3-9-21-35/h1-31H.
What are the key properties of 2,4-diphenyl-6-[4-(3'-phenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-(3'-phenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)phenyl]-1,3,5-triazine has a molecular weight of 705.89 g/mol, XLogP of 12.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-(3'-phenylspiro[fluorene-9,4'-indeno[1,2-c]thiophene]-1'-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 156530529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).