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

C138H84N6S3 — CID 157087580

IUPAC3-[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
SMILESc1ccc(-c2cc(-c3ccccc3)c3sc4c(-c5ccccc5)cc(-c5ccccc5-c5cnc6c7ccccc7c7ccccc7c6n5)cc4c3c2)cc1.c1ccc(-c2ccc3sc4ccc(-c5ccccc5-c5cnc6c7ccccc7c7ccccc7c6n5)cc4c3c2)cc1.c1ccc(-c2cccc3c2sc2c(-c4ccccc4)cc(-c4ccccc4-c4cnc5c6ccccc6c6ccccc6c5n4)cc23)cc1
InChIInChI=1S/C52H32N2S.C46H28N2S.C40H24N2S/c1-4-16-33(17-5-1)36-28-44(34-18-6-2-7-19-34)51-46(29-36)47-31-37(30-45(52(47)55-51)35-20-8-3-9-21-35)38-22-10-13-25-41(38)48-32-53-49-42-26-14-11-23-39(42)40-24-12-15-27-43(40)50(49)54-48;1-3-14-29(15-4-1)33-24-13-25-39-41-27-31(26-40(46(41)49-45(33)39)30-16-5-2-6-17-30)32-18-7-10-21-36(32)42-28-47-43-37-22-11-8-19-34(37)35-20-9-12-23-38(35)44(43)48-42;1-2-10-25(11-3-1)26-18-20-37-34(22-26)35-23-27(19-21-38(35)43-37)28-12-4-7-15-31(28)36-24-41-39-32-16-8-5-13-29(32)30-14-6-9-17-33(30)40(39)42-36/h1-32H;1-28H;1-24H
InChIKeyAEGSKKCDGKDQKT-UHFFFAOYSA-N
MW1922.43 g/mol
LogP38.92
Rot. Bonds12

About 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

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 (PubChem CID 157087580) has the molecular formula C138H84N6S3 and a molecular weight of 1922.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID157087580
Molecular FormulaC138H84N6S3
Molecular Weight1922.43 g/mol
Exact Mass1920.59
IUPAC Name3-[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
SMILESc1ccc(-c2cc(-c3ccccc3)c3sc4c(-c5ccccc5)cc(-c5ccccc5-c5cnc6c7ccccc7c7ccccc7c6n5)cc4c3c2)cc1.c1ccc(-c2ccc3sc4ccc(-c5ccccc5-c5cnc6c7ccccc7c7ccccc7c6n5)cc4c3c2)cc1.c1ccc(-c2cccc3c2sc2c(-c4ccccc4)cc(-c4ccccc4-c4cnc5c6ccccc6c6ccccc6c5n4)cc23)cc1
InChIInChI=1S/C52H32N2S.C46H28N2S.C40H24N2S/c1-4-16-33(17-5-1)36-28-44(34-18-6-2-7-19-34)51-46(29-36)47-31-37(30-45(52(47)55-51)35-20-8-3-9-21-35)38-22-10-13-25-41(38)48-32-53-49-42-26-14-11-23-39(42)40-24-12-15-27-43(40)50(49)54-48;1-3-14-29(15-4-1)33-24-13-25-39-41-27-31(26-40(46(41)49-45(33)39)30-16-5-2-6-17-30)32-18-7-10-21-36(32)42-28-47-43-37-22-11-8-19-34(37)35-20-9-12-23-38(35)44(43)48-42;1-2-10-25(11-3-1)26-18-20-37-34(22-26)35-23-27(19-21-38(35)43-37)28-12-4-7-15-31(28)36-24-41-39-32-16-8-5-13-29(32)30-14-6-9-17-33(30)40(39)42-36/h1-32H;1-28H;1-24H
InChIKeyAEGSKKCDGKDQKT-UHFFFAOYSA-N
XLogP38.92
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001922.43
LogP ≤ 538.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-[2-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 58410163
3-[3-[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425352
3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425289
3-[4-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425350
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
3-[4-[2-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425351
3-[3,5-bis(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89475659
3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine
CID 58410390
3-[3-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine
CID 129063187
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
4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine
CID 158243456
3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(7-dibenzothiophen-4-ylnaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(3-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine
CID 160715656

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccccc3)c3sc4c(-c5ccccc5)cc(-c5ccccc5-c5cnc6c7ccccc7c7ccccc7c6n5)cc4c3c2)cc1.c1ccc(-c2ccc3sc4ccc(-c5ccccc5-c5cnc6c7ccccc7c7ccccc7c6n5)cc4c3c2)cc1.c1ccc(-c2cccc3c2sc2c(-c4ccccc4)cc(-c4ccccc4-c4cnc5c6ccccc6c6ccccc6c5n4)cc23)cc1.
What is the InChIKey of 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?
The InChIKey is AEGSKKCDGKDQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2S.C46H28N2S.C40H24N2S/c1-4-16-33(17-5-1)36-28-44(34-18-6-2-7-19-34)51-46(29-36)47-31-37(30-45(52(47)55-51)35-20-8-3-9-21-35)38-22-10-13-25-41(38)48-32-53-49-42-26-14-11-23-39(42)40-24-12-15-27-43(40)50(49)54-48;1-3-14-29(15-4-1)33-24-13-25-39-41-27-31(26-40(46(41)49-45(33)39)30-16-5-2-6-17-30)32-18-7-10-21-36(32)42-28-47-43-37-22-11-8-19-34(37)35-20-9-12-23-38(35)44(43)48-42;1-2-10-25(11-3-1)26-18-20-37-34(22-26)35-23-27(19-21-38(35)43-37)28-12-4-7-15-31(28)36-24-41-39-32-16-8-5-13-29(32)30-14-6-9-17-33(30)40(39)42-36/h1-32H;1-28H;1-24H.
What are the key properties of 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?
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 has a molecular weight of 1922.43 g/mol, XLogP of 38.92, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157087580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).