2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine

C56H35N3S — CID 174361294

IUPAC2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3sc4cccc(-c5nc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)nc(-c6cccc7ccccc67)n5)c4c3c2)cc1
InChIInChI=1S/C56H35N3S/c1-3-16-36(17-4-1)38-32-33-50-47(35-38)52-46(28-15-31-51(52)60-50)55-58-53(57-54(59-55)45-27-14-19-37-18-7-8-24-42(37)45)39-20-13-23-41(34-39)56(40-21-5-2-6-22-40)48-29-11-9-25-43(48)44-26-10-12-30-49(44)56/h1-35H
InChIKeyBMYLCTWVCXSPKB-UHFFFAOYSA-N
MW781.98 g/mol
LogP14.42
Rot. Bonds6

About 2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine

2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine (PubChem CID 174361294) has the molecular formula C56H35N3S and a molecular weight of 781.98 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
PubChem CID174361294
Molecular FormulaC56H35N3S
Molecular Weight781.98 g/mol
Exact Mass781.26
IUPAC Name2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3sc4cccc(-c5nc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)nc(-c6cccc7ccccc67)n5)c4c3c2)cc1
InChIInChI=1S/C56H35N3S/c1-3-16-36(17-4-1)38-32-33-50-47(35-38)52-46(28-15-31-51(52)60-50)55-58-53(57-54(59-55)45-27-14-19-37-18-7-8-24-42(37)45)39-20-13-23-41(34-39)56(40-21-5-2-6-22-40)48-29-11-9-25-43(48)44-26-10-12-30-49(44)56/h1-35H
InChIKeyBMYLCTWVCXSPKB-UHFFFAOYSA-N
XLogP14.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.98
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-phenyldibenzothiophen-1-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 174361298
2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162487458
2-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153368858
2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166002378
2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166024935
2,4-diphenyl-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 156734871
2-[8-[2-(9,9-diphenylfluoren-1-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166002321
2-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163680358
2-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157398141
2,4-diphenyl-6-[5-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487268
2,4-diphenyl-6-[8-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 118507970
2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581823

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine (CID 174361294) is 2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc3sc4cccc(-c5nc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)nc(-c6cccc7ccccc67)n5)c4c3c2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
The InChIKey is BMYLCTWVCXSPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3S/c1-3-16-36(17-4-1)38-32-33-50-47(35-38)52-46(28-15-31-51(52)60-50)55-58-53(57-54(59-55)45-27-14-19-37-18-7-8-24-42(37)45)39-20-13-23-41(34-39)56(40-21-5-2-6-22-40)48-29-11-9-25-43(48)44-26-10-12-30-49(44)56/h1-35H.
What are the key properties of 2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine has a molecular weight of 781.98 g/mol, XLogP of 14.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 174361294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).