3-[3-[2,8-bis(3,5-diphenylphenyl)-6-phenyldibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2,6,8-tris(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine

C286H180N8S4 — CID 157149912

IUPAC3-[3-[2,8-bis(3,5-diphenylphenyl)-6-phenyldibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2,6,8-tris(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)c4sc5c(-c6cccc(-c7cnc8c9ccccc9c9ccccc9c8n7)c6)cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5c4c3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4sc5c(-c6ccc(-c7cnc8c9ccccc9c9ccccc9c8n7)cc6)cc(-c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4sc5c(-c6cccc(-c7cnc8c9ccccc9c9ccccc9c8n7)c6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4sc5c(-c6ccccc6-c6cnc7c8ccccc8c8ccccc8c7n6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1
InChIInChI=1S/C76H48N2S.3C70H44N2S/c1-6-21-49(22-7-1)56-38-57(50-23-8-2-9-24-50)41-60(40-56)62-44-68(53-29-14-5-15-30-53)75-70(46-62)71-47-63(61-42-58(51-25-10-3-11-26-51)39-59(43-61)52-27-12-4-13-28-52)45-69(76(71)79-75)54-31-20-32-55(37-54)72-48-77-73-66-35-18-16-33-64(66)65-34-17-19-36-67(65)74(73)78-72;1-4-19-45(20-5-1)48-25-16-28-51(37-48)54-40-62(53-30-18-27-50(39-53)47-23-8-3-9-24-47)69-64(42-54)65-43-55(52-29-17-26-49(38-52)46-21-6-2-7-22-46)41-63(70(65)73-69)58-33-10-13-34-59(58)66-44-71-67-60-35-14-11-31-56(60)57-32-12-15-36-61(57)68(67)72-66;1-4-18-45(19-5-1)48-24-14-27-51(36-48)56-40-62(53-29-16-26-50(38-53)47-22-8-3-9-23-47)69-64(42-56)65-43-57(52-28-15-25-49(37-52)46-20-6-2-7-21-46)41-63(70(65)73-69)54-30-17-31-55(39-54)66-44-71-67-60-34-12-10-32-58(60)59-33-11-13-35-61(59)68(67)72-66;1-4-14-45(15-5-1)48-24-28-51(29-25-48)56-40-62(53-34-32-50(33-35-53)47-18-8-3-9-19-47)69-64(42-56)65-43-57(52-30-26-49(27-31-52)46-16-6-2-7-17-46)41-63(70(65)73-69)54-36-38-55(39-37-54)66-44-71-67-60-22-12-10-20-58(60)59-21-11-13-23-61(59)68(67)72-66/h1-48H;3*1-44H
InChIKeyALDCTWBQIIHDRT-UHFFFAOYSA-N
MW3856.91 g/mol
LogP80.23
Rot. Bonds33

About 3-[3-[2,8-bis(3,5-diphenylphenyl)-6-phenyldibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2,6,8-tris(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine

3-[3-[2,8-bis(3,5-diphenylphenyl)-6-phenyldibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2,6,8-tris(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 157149912) has the molecular formula C286H180N8S4 and a molecular weight of 3856.91 g/mol. Its IUPAC name is 3-[3-[2,8-bis(3,5-diphenylphenyl)-6-phenyldibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2,6,8-tris(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[3-[2,8-bis(3,5-diphenylphenyl)-6-phenyldibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2,6,8-tris(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID157149912
Molecular FormulaC286H180N8S4
Molecular Weight3856.91 g/mol
Exact Mass3853.32
IUPAC Name3-[3-[2,8-bis(3,5-diphenylphenyl)-6-phenyldibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2,6,8-tris(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)c4sc5c(-c6cccc(-c7cnc8c9ccccc9c9ccccc9c8n7)c6)cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5c4c3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4sc5c(-c6ccc(-c7cnc8c9ccccc9c9ccccc9c8n7)cc6)cc(-c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4sc5c(-c6cccc(-c7cnc8c9ccccc9c9ccccc9c8n7)c6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4sc5c(-c6ccccc6-c6cnc7c8ccccc8c8ccccc8c7n6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1
InChIInChI=1S/C76H48N2S.3C70H44N2S/c1-6-21-49(22-7-1)56-38-57(50-23-8-2-9-24-50)41-60(40-56)62-44-68(53-29-14-5-15-30-53)75-70(46-62)71-47-63(61-42-58(51-25-10-3-11-26-51)39-59(43-61)52-27-12-4-13-28-52)45-69(76(71)79-75)54-31-20-32-55(37-54)72-48-77-73-66-35-18-16-33-64(66)65-34-17-19-36-67(65)74(73)78-72;1-4-19-45(20-5-1)48-25-16-28-51(37-48)54-40-62(53-30-18-27-50(39-53)47-23-8-3-9-24-47)69-64(42-54)65-43-55(52-29-17-26-49(38-52)46-21-6-2-7-22-46)41-63(70(65)73-69)58-33-10-13-34-59(58)66-44-71-67-60-35-14-11-31-56(60)57-32-12-15-36-61(57)68(67)72-66;1-4-18-45(19-5-1)48-24-14-27-51(36-48)56-40-62(53-29-16-26-50(38-53)47-22-8-3-9-23-47)69-64(42-56)65-43-57(52-28-15-25-49(37-52)46-20-6-2-7-21-46)41-63(70(65)73-69)54-30-17-31-55(39-54)66-44-71-67-60-34-12-10-32-58(60)59-33-11-13-35-61(59)68(67)72-66;1-4-14-45(15-5-1)48-24-28-51(29-25-48)56-40-62(53-34-32-50(33-35-53)47-18-8-3-9-19-47)69-64(42-56)65-43-57(52-30-26-49(27-31-52)46-16-6-2-7-17-46)41-63(70(65)73-69)54-36-38-55(39-37-54)66-44-71-67-60-22-12-10-20-58(60)59-21-11-13-23-61(59)68(67)72-66/h1-48H;3*1-44H
InChIKeyALDCTWBQIIHDRT-UHFFFAOYSA-N
XLogP80.23
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds33
Heavy Atoms298
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003856.91
LogP ≤ 580.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-[3-[2,8-bis(3,5-diphenylphenyl)-6-phenyldibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2,6,8-tris(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine with MolForge

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Related Compounds

3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425289
3-[3-[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425352
3-[4-[2-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425351
3-[2-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 58410163
3-[2-(4,6-diphenyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[2-(8-phenyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[2-(4,6,8-triphenyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 157087580
3-[4-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425350
3-[3-[4-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[4-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[4-[4-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[4-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 158191248
3-[3,5-bis(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89475659
3-[3-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine
CID 129063187
3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;2-phenyl-3-[4-[4-(2-phenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 159278418
3-[3-[3-[3-(6-naphthalen-1-yldibenzothiophen-4-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063173
3-[3-(4,6,8-triphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 118227579

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2,8-bis(3,5-diphenylphenyl)-6-phenyldibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2,6,8-tris(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[3-[2,8-bis(3,5-diphenylphenyl)-6-phenyldibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2,6,8-tris(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine (CID 157149912) is 3-[3-[2,8-bis(3,5-diphenylphenyl)-6-phenyldibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2,6,8-tris(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[3-[2,8-bis(3,5-diphenylphenyl)-6-phenyldibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2,6,8-tris(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[3-[2,8-bis(3,5-diphenylphenyl)-6-phenyldibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2,6,8-tris(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)c4sc5c(-c6cccc(-c7cnc8c9ccccc9c9ccccc9c8n7)c6)cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5c4c3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4sc5c(-c6ccc(-c7cnc8c9ccccc9c9ccccc9c8n7)cc6)cc(-c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4sc5c(-c6cccc(-c7cnc8c9ccccc9c9ccccc9c8n7)c6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4sc5c(-c6ccccc6-c6cnc7c8ccccc8c8ccccc8c7n6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.
What is the InChIKey of 3-[3-[2,8-bis(3,5-diphenylphenyl)-6-phenyldibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2,6,8-tris(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is ALDCTWBQIIHDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48N2S.3C70H44N2S/c1-6-21-49(22-7-1)56-38-57(50-23-8-2-9-24-50)41-60(40-56)62-44-68(53-29-14-5-15-30-53)75-70(46-62)71-47-63(61-42-58(51-25-10-3-11-26-51)39-59(43-61)52-27-12-4-13-28-52)45-69(76(71)79-75)54-31-20-32-55(37-54)72-48-77-73-66-35-18-16-33-64(66)65-34-17-19-36-67(65)74(73)78-72;1-4-19-45(20-5-1)48-25-16-28-51(37-48)54-40-62(53-30-18-27-50(39-53)47-23-8-3-9-24-47)69-64(42-54)65-43-55(52-29-17-26-49(38-52)46-21-6-2-7-22-46)41-63(70(65)73-69)58-33-10-13-34-59(58)66-44-71-67-60-35-14-11-31-56(60)57-32-12-15-36-61(57)68(67)72-66;1-4-18-45(19-5-1)48-24-14-27-51(36-48)56-40-62(53-29-16-26-50(38-53)47-22-8-3-9-23-47)69-64(42-56)65-43-57(52-28-15-25-49(37-52)46-20-6-2-7-21-46)41-63(70(65)73-69)54-30-17-31-55(39-54)66-44-71-67-60-34-12-10-32-58(60)59-33-11-13-35-61(59)68(67)72-66;1-4-14-45(15-5-1)48-24-28-51(29-25-48)56-40-62(53-34-32-50(33-35-53)47-18-8-3-9-19-47)69-64(42-56)65-43-57(52-30-26-49(27-31-52)46-16-6-2-7-17-46)41-63(70(65)73-69)54-36-38-55(39-37-54)66-44-71-67-60-22-12-10-20-58(60)59-21-11-13-23-61(59)68(67)72-66/h1-48H;3*1-44H.
What are the key properties of 3-[3-[2,8-bis(3,5-diphenylphenyl)-6-phenyldibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2,6,8-tris(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine?
3-[3-[2,8-bis(3,5-diphenylphenyl)-6-phenyldibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2,6,8-tris(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 3856.91 g/mol, XLogP of 80.23, 33 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2,8-bis(3,5-diphenylphenyl)-6-phenyldibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2,6,8-tris(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 157149912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).