2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine

C178H111N9S3 — CID 167638600

IUPAC2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)n3)cc2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)n4)cccc32)cc1
InChIInChI=1S/C62H39N3S.C58H35N3S.C58H37N3S/c1-3-18-45(19-4-1)62(46-20-5-2-6-21-46)54-29-11-9-24-52(54)57-53(28-15-30-55(57)62)61-64-59(43-36-32-41(33-37-43)48-25-13-17-40-16-7-8-22-47(40)48)63-60(65-61)44-38-34-42(35-39-44)49-26-14-27-51-50-23-10-12-31-56(50)66-58(49)51;1-2-14-36(15-3-1)37-28-32-39(33-29-37)55-59-56(40-34-30-38(31-35-40)41-20-12-21-45-44-18-7-11-27-52(44)62-54(41)45)61-57(60-55)47-22-13-26-51-53(47)46-19-6-10-25-50(46)58(51)48-23-8-4-16-42(48)43-17-5-9-24-49(43)58;1-4-18-38(19-5-1)43-24-10-11-26-47(43)56-59-55(40-36-34-39(35-37-40)44-28-16-29-46-45-25-13-15-33-52(45)62-54(44)46)60-57(61-56)49-30-17-32-51-53(49)48-27-12-14-31-50(48)58(51,41-20-6-2-7-21-41)42-22-8-3-9-23-42/h1-39H;1-35H;1-37H
InChIKeyOVMXSMQECQIQAC-UHFFFAOYSA-N
MW2472.11 g/mol
LogP45.95
Rot. Bonds19

About 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine

2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine (PubChem CID 167638600) has the molecular formula C178H111N9S3 and a molecular weight of 2472.11 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
PubChem CID167638600
Molecular FormulaC178H111N9S3
Molecular Weight2472.11 g/mol
Exact Mass2469.81
IUPAC Name2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)n3)cc2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)n4)cccc32)cc1
InChIInChI=1S/C62H39N3S.C58H35N3S.C58H37N3S/c1-3-18-45(19-4-1)62(46-20-5-2-6-21-46)54-29-11-9-24-52(54)57-53(28-15-30-55(57)62)61-64-59(43-36-32-41(33-37-43)48-25-13-17-40-16-7-8-22-47(40)48)63-60(65-61)44-38-34-42(35-39-44)49-26-14-27-51-50-23-10-12-31-56(50)66-58(49)51;1-2-14-36(15-3-1)37-28-32-39(33-29-37)55-59-56(40-34-30-38(31-35-40)41-20-12-21-45-44-18-7-11-27-52(44)62-54(41)45)61-57(60-55)47-22-13-26-51-53(47)46-19-6-10-25-50(46)58(51)48-23-8-4-16-42(48)43-17-5-9-24-49(43)58;1-4-18-38(19-5-1)43-24-10-11-26-47(43)56-59-55(40-36-34-39(35-37-40)44-28-16-29-46-45-25-13-15-33-52(45)62-54(44)46)60-57(61-56)49-30-17-32-51-53(49)48-27-12-14-31-50(48)58(51,41-20-6-2-7-21-41)42-22-8-3-9-23-42/h1-39H;1-35H;1-37H
InChIKeyOVMXSMQECQIQAC-UHFFFAOYSA-N
XLogP45.95
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002472.11
LogP ≤ 545.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167603616
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 166024858
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 166024922
2-(3-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 167624285
2-(4-dibenzothiophen-1-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine
CID 167702303
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-1-yl)-6-phenyl-1,3,5-triazine;2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 167570487
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 166024803
2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine
CID 167349621
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 166024873
2-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 145377395
2-(3-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166024913
2-(4-dibenzothiophen-4-ylphenyl)-4-(9-naphthalen-1-yl-9-phenylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(5-dibenzothiophen-4-yl-2-pyridinyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(6-dibenzothiophen-4-yl-3-pyridinyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 167604173

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine (CID 167638600) is 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)n3)cc2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)n4)cccc32)cc1.
What is the InChIKey of 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine?
The InChIKey is OVMXSMQECQIQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3S.C58H35N3S.C58H37N3S/c1-3-18-45(19-4-1)62(46-20-5-2-6-21-46)54-29-11-9-24-52(54)57-53(28-15-30-55(57)62)61-64-59(43-36-32-41(33-37-43)48-25-13-17-40-16-7-8-22-47(40)48)63-60(65-61)44-38-34-42(35-39-44)49-26-14-27-51-50-23-10-12-31-56(50)66-58(49)51;1-2-14-36(15-3-1)37-28-32-39(33-29-37)55-59-56(40-34-30-38(31-35-40)41-20-12-21-45-44-18-7-11-27-52(44)62-54(41)45)61-57(60-55)47-22-13-26-51-53(47)46-19-6-10-25-50(46)58(51)48-23-8-4-16-42(48)43-17-5-9-24-49(43)58;1-4-18-38(19-5-1)43-24-10-11-26-47(43)56-59-55(40-36-34-39(35-37-40)44-28-16-29-46-45-25-13-15-33-52(45)62-54(44)46)60-57(61-56)49-30-17-32-51-53(49)48-27-12-14-31-50(48)58(51,41-20-6-2-7-21-41)42-22-8-3-9-23-42/h1-39H;1-35H;1-37H.
What are the key properties of 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine?
2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine has a molecular weight of 2472.11 g/mol, XLogP of 45.95, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine is sourced from PubChem (CID 167638600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).