2-dibenzothiophen-2-yl-4-[4-[6-[1-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-9-yldibenzofuran-4-yl]-8-phenanthren-9-yldibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine

C106H60N6O2S2 — CID 155470984

IUPAC2-dibenzothiophen-2-yl-4-[4-[6-[1-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-9-yldibenzofuran-4-yl]-8-phenanthren-9-yldibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cc(-c6cc7ccccc7c7ccccc67)cc6c5oc5cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccc%10sc%11ccccc%11c%10c9)n8)cc7)c56)c5oc6ccc(-c7cc8ccccc8c8ccccc78)cc6c45)cc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C106H60N6O2S2/c1-3-20-63(21-4-1)101-107-103(111-105(109-101)70-48-53-95-87(57-70)82-33-16-18-37-94(82)115-95)65-42-38-61(39-43-65)75-34-19-35-92-97(75)90-59-72(86-55-68-25-8-10-27-74(68)78-29-12-14-31-80(78)86)58-88(99(90)114-92)84-51-50-76(98-89-56-69(47-52-91(89)113-100(84)98)85-54-67-24-7-9-26-73(67)77-28-11-13-30-79(77)85)62-40-44-66(45-41-62)104-108-102(64-22-5-2-6-23-64)110-106(112-104)71-46-49-83-81-32-15-17-36-93(81)116-96(83)60-71/h1-60H
InChIKeyQPHOJAKWJPZZCE-UHFFFAOYSA-N
MW1513.82 g/mol
LogP29.54
Rot. Bonds11

About 2-dibenzothiophen-2-yl-4-[4-[6-[1-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-9-yldibenzofuran-4-yl]-8-phenanthren-9-yldibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine

2-dibenzothiophen-2-yl-4-[4-[6-[1-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-9-yldibenzofuran-4-yl]-8-phenanthren-9-yldibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 155470984) has the molecular formula C106H60N6O2S2 and a molecular weight of 1513.82 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-4-[4-[6-[1-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-9-yldibenzofuran-4-yl]-8-phenanthren-9-yldibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-4-[4-[6-[1-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-9-yldibenzofuran-4-yl]-8-phenanthren-9-yldibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID155470984
Molecular FormulaC106H60N6O2S2
Molecular Weight1513.82 g/mol
Exact Mass1512.42
IUPAC Name2-dibenzothiophen-2-yl-4-[4-[6-[1-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-9-yldibenzofuran-4-yl]-8-phenanthren-9-yldibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cc(-c6cc7ccccc7c7ccccc67)cc6c5oc5cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccc%10sc%11ccccc%11c%10c9)n8)cc7)c56)c5oc6ccc(-c7cc8ccccc8c8ccccc78)cc6c45)cc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C106H60N6O2S2/c1-3-20-63(21-4-1)101-107-103(111-105(109-101)70-48-53-95-87(57-70)82-33-16-18-37-94(82)115-95)65-42-38-61(39-43-65)75-34-19-35-92-97(75)90-59-72(86-55-68-25-8-10-27-74(68)78-29-12-14-31-80(78)86)58-88(99(90)114-92)84-51-50-76(98-89-56-69(47-52-91(89)113-100(84)98)85-54-67-24-7-9-26-73(67)77-28-11-13-30-79(77)85)62-40-44-66(45-41-62)104-108-102(64-22-5-2-6-23-64)110-106(112-104)71-46-49-83-81-32-15-17-36-93(81)116-96(83)60-71/h1-60H
InChIKeyQPHOJAKWJPZZCE-UHFFFAOYSA-N
XLogP29.54
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001513.82
LogP ≤ 529.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-dibenzothiophen-2-yl-4-[4-[6-[1-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-9-yldibenzofuran-4-yl]-8-phenanthren-9-yldibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzothiophen-2-yl-4-[4-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198924
2-dibenzothiophen-1-yl-4-[4-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198930
2-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952247
2,4-di(dibenzothiophen-3-yl)-6-[8-(4-dibenzothiophen-3-yldibenzofuran-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 165166709
2-dibenzofuran-2-yl-4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 148673756
2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850189
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-dibenzothiophen-3-yl-4-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166742671
2,4-diphenyl-6-[9-(1-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199156
2-[4-(4-dibenzothiophen-3-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160600611
2-(3-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 166743455
2-dibenzothiophen-3-yl-4-[7-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741993

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-4-[4-[6-[1-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-9-yldibenzofuran-4-yl]-8-phenanthren-9-yldibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-2-yl-4-[4-[6-[1-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-9-yldibenzofuran-4-yl]-8-phenanthren-9-yldibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 155470984) is 2-dibenzothiophen-2-yl-4-[4-[6-[1-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-9-yldibenzofuran-4-yl]-8-phenanthren-9-yldibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-4-[4-[6-[1-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-9-yldibenzofuran-4-yl]-8-phenanthren-9-yldibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-2-yl-4-[4-[6-[1-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-9-yldibenzofuran-4-yl]-8-phenanthren-9-yldibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cc(-c6cc7ccccc7c7ccccc67)cc6c5oc5cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccc%10sc%11ccccc%11c%10c9)n8)cc7)c56)c5oc6ccc(-c7cc8ccccc8c8ccccc78)cc6c45)cc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-4-[4-[6-[1-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-9-yldibenzofuran-4-yl]-8-phenanthren-9-yldibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is QPHOJAKWJPZZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H60N6O2S2/c1-3-20-63(21-4-1)101-107-103(111-105(109-101)70-48-53-95-87(57-70)82-33-16-18-37-94(82)115-95)65-42-38-61(39-43-65)75-34-19-35-92-97(75)90-59-72(86-55-68-25-8-10-27-74(68)78-29-12-14-31-80(78)86)58-88(99(90)114-92)84-51-50-76(98-89-56-69(47-52-91(89)113-100(84)98)85-54-67-24-7-9-26-73(67)77-28-11-13-30-79(77)85)62-40-44-66(45-41-62)104-108-102(64-22-5-2-6-23-64)110-106(112-104)71-46-49-83-81-32-15-17-36-93(81)116-96(83)60-71/h1-60H.
What are the key properties of 2-dibenzothiophen-2-yl-4-[4-[6-[1-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-9-yldibenzofuran-4-yl]-8-phenanthren-9-yldibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine?
2-dibenzothiophen-2-yl-4-[4-[6-[1-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-9-yldibenzofuran-4-yl]-8-phenanthren-9-yldibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 1513.82 g/mol, XLogP of 29.54, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-4-[4-[6-[1-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-9-yldibenzofuran-4-yl]-8-phenanthren-9-yldibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155470984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).