2-dibenzothiophen-1-yl-4-[4-[8-(8,10-dihydropyren-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(10-phenylphenanthren-9-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[4-[8-(8-phenylphenanthren-1-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine

C173H103N9O3S3 — CID 159241289

IUPAC2-dibenzothiophen-1-yl-4-[4-[8-(8,10-dihydropyren-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(10-phenylphenanthren-9-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[4-[8-(8-phenylphenanthren-1-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
SMILESC1=Cc2ccc3ccc(-c4ccc5oc6cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9cccc%10sc%11ccccc%11c9%10)n8)cc7)c6c5c4)c4c3c2C(=CC4)C1.c1ccc(-c2nc(-c3ccc(-c4cccc5oc6ccc(-c7c(-c8ccccc8)c8ccccc8c8ccccc78)cc6c45)cc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5oc6ccc(-c7cccc8c7ccc7c(-c9ccccc9)cccc78)cc6c45)cc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/2C59H35N3OS.C55H33N3OS/c1-3-14-37(15-4-1)54-46-21-9-7-18-43(46)44-19-8-10-22-47(44)55(54)40-30-32-50-49(34-40)56-42(23-13-24-51(56)63-50)36-26-28-39(29-27-36)58-60-57(38-16-5-2-6-17-38)61-59(62-58)41-31-33-53-48(35-41)45-20-11-12-25-52(45)64-53;1-3-12-36(13-4-1)42-17-9-20-45-46-21-10-18-43(48(46)32-31-47(42)45)40-29-33-52-51(34-40)56-44(19-11-22-53(56)63-52)37-24-26-39(27-25-37)58-60-57(38-14-5-2-6-15-38)61-59(62-58)41-28-30-50-49-16-7-8-23-54(49)64-55(50)35-41;1-2-9-36(10-3-1)53-56-54(58-55(57-53)43-15-8-18-48-52(43)42-13-4-5-17-47(42)60-48)37-23-19-32(20-24-37)40-14-7-16-46-51(40)44-31-38(27-30-45(44)59-46)39-28-25-35-22-21-33-11-6-12-34-26-29-41(39)50(35)49(33)34/h2*1-35H;1-11,13-28,30-31H,12,29H2
InChIKeyKUCZTGGBLUJHJC-UHFFFAOYSA-N
MW2451.99 g/mol
LogP47.88
Rot. Bonds17

About 2-dibenzothiophen-1-yl-4-[4-[8-(8,10-dihydropyren-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(10-phenylphenanthren-9-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[4-[8-(8-phenylphenanthren-1-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine

2-dibenzothiophen-1-yl-4-[4-[8-(8,10-dihydropyren-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(10-phenylphenanthren-9-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[4-[8-(8-phenylphenanthren-1-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine (PubChem CID 159241289) has the molecular formula C173H103N9O3S3 and a molecular weight of 2451.99 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-[4-[8-(8,10-dihydropyren-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(10-phenylphenanthren-9-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[4-[8-(8-phenylphenanthren-1-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-4-[4-[8-(8,10-dihydropyren-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(10-phenylphenanthren-9-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[4-[8-(8-phenylphenanthren-1-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
PubChem CID159241289
Molecular FormulaC173H103N9O3S3
Molecular Weight2451.99 g/mol
Exact Mass2449.73
IUPAC Name2-dibenzothiophen-1-yl-4-[4-[8-(8,10-dihydropyren-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(10-phenylphenanthren-9-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[4-[8-(8-phenylphenanthren-1-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
SMILESC1=Cc2ccc3ccc(-c4ccc5oc6cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9cccc%10sc%11ccccc%11c9%10)n8)cc7)c6c5c4)c4c3c2C(=CC4)C1.c1ccc(-c2nc(-c3ccc(-c4cccc5oc6ccc(-c7c(-c8ccccc8)c8ccccc8c8ccccc78)cc6c45)cc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5oc6ccc(-c7cccc8c7ccc7c(-c9ccccc9)cccc78)cc6c45)cc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/2C59H35N3OS.C55H33N3OS/c1-3-14-37(15-4-1)54-46-21-9-7-18-43(46)44-19-8-10-22-47(44)55(54)40-30-32-50-49(34-40)56-42(23-13-24-51(56)63-50)36-26-28-39(29-27-36)58-60-57(38-16-5-2-6-17-38)61-59(62-58)41-31-33-53-48(35-41)45-20-11-12-25-52(45)64-53;1-3-12-36(13-4-1)42-17-9-20-45-46-21-10-18-43(48(46)32-31-47(42)45)40-29-33-52-51(34-40)56-44(19-11-22-53(56)63-52)37-24-26-39(27-25-37)58-60-57(38-14-5-2-6-15-38)61-59(62-58)41-28-30-50-49-16-7-8-23-54(49)64-55(50)35-41;1-2-9-36(10-3-1)53-56-54(58-55(57-53)43-15-8-18-48-52(43)42-13-4-5-17-47(42)60-48)37-23-19-32(20-24-37)40-14-7-16-46-51(40)44-31-38(27-30-45(44)59-46)39-28-25-35-22-21-33-11-6-12-34-26-29-41(39)50(35)49(33)34/h2*1-35H;1-11,13-28,30-31H,12,29H2
InChIKeyKUCZTGGBLUJHJC-UHFFFAOYSA-N
XLogP47.88
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002451.99
LogP ≤ 547.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-dibenzothiophen-1-yl-4-[4-[8-(8,10-dihydropyren-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(10-phenylphenanthren-9-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[4-[8-(8-phenylphenanthren-1-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzothiophen-3-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 134198685
2-dibenzothiophen-1-yl-4-[8-(8,10-dihydropyren-4-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 166007762
2-[8-(3,3a,4,6-tetrahydropyren-1-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 140946708
2-dibenzothiophen-1-yl-4-phenyl-6-[3-[8-(2-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 161021591
2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-[8-(4,6-dihydropyren-1-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 157280281
2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742649
2-dibenzothiophen-1-yl-4-[4-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198930
2-dibenzothiophen-1-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198711
2-dibenzothiophen-1-yl-4-phenyl-6-[3-[8-(2-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198900
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
2-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952247
2-dibenzothiophen-2-yl-4-[4-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198924

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-[4-[8-(8,10-dihydropyren-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(10-phenylphenanthren-9-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[4-[8-(8-phenylphenanthren-1-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-1-yl-4-[4-[8-(8,10-dihydropyren-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(10-phenylphenanthren-9-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[4-[8-(8-phenylphenanthren-1-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine (CID 159241289) is 2-dibenzothiophen-1-yl-4-[4-[8-(8,10-dihydropyren-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(10-phenylphenanthren-9-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[4-[8-(8-phenylphenanthren-1-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-4-[4-[8-(8,10-dihydropyren-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(10-phenylphenanthren-9-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[4-[8-(8-phenylphenanthren-1-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-1-yl-4-[4-[8-(8,10-dihydropyren-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(10-phenylphenanthren-9-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[4-[8-(8-phenylphenanthren-1-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine is C1=Cc2ccc3ccc(-c4ccc5oc6cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9cccc%10sc%11ccccc%11c9%10)n8)cc7)c6c5c4)c4c3c2C(=CC4)C1.c1ccc(-c2nc(-c3ccc(-c4cccc5oc6ccc(-c7c(-c8ccccc8)c8ccccc8c8ccccc78)cc6c45)cc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5oc6ccc(-c7cccc8c7ccc7c(-c9ccccc9)cccc78)cc6c45)cc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-1-yl-4-[4-[8-(8,10-dihydropyren-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(10-phenylphenanthren-9-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[4-[8-(8-phenylphenanthren-1-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine?
The InChIKey is KUCZTGGBLUJHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H35N3OS.C55H33N3OS/c1-3-14-37(15-4-1)54-46-21-9-7-18-43(46)44-19-8-10-22-47(44)55(54)40-30-32-50-49(34-40)56-42(23-13-24-51(56)63-50)36-26-28-39(29-27-36)58-60-57(38-16-5-2-6-17-38)61-59(62-58)41-31-33-53-48(35-41)45-20-11-12-25-52(45)64-53;1-3-12-36(13-4-1)42-17-9-20-45-46-21-10-18-43(48(46)32-31-47(42)45)40-29-33-52-51(34-40)56-44(19-11-22-53(56)63-52)37-24-26-39(27-25-37)58-60-57(38-14-5-2-6-15-38)61-59(62-58)41-28-30-50-49-16-7-8-23-54(49)64-55(50)35-41;1-2-9-36(10-3-1)53-56-54(58-55(57-53)43-15-8-18-48-52(43)42-13-4-5-17-47(42)60-48)37-23-19-32(20-24-37)40-14-7-16-46-51(40)44-31-38(27-30-45(44)59-46)39-28-25-35-22-21-33-11-6-12-34-26-29-41(39)50(35)49(33)34/h2*1-35H;1-11,13-28,30-31H,12,29H2.
What are the key properties of 2-dibenzothiophen-1-yl-4-[4-[8-(8,10-dihydropyren-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(10-phenylphenanthren-9-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[4-[8-(8-phenylphenanthren-1-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine?
2-dibenzothiophen-1-yl-4-[4-[8-(8,10-dihydropyren-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(10-phenylphenanthren-9-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[4-[8-(8-phenylphenanthren-1-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine has a molecular weight of 2451.99 g/mol, XLogP of 47.88, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-4-[4-[8-(8,10-dihydropyren-1-yl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(10-phenylphenanthren-9-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[4-[8-(8-phenylphenanthren-1-yl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 159241289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).