2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine

C104H60N6OS — CID 167177443

IUPAC2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)nc(-c3ccc4c(c3)sc3ccc(-c5cccc(-c6nc(-c7cccc(-c8ccc9c(c8)-c8ccccc8C98c9ccccc9-c9ccccc98)c7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c5)cc34)n2)cc1
InChIInChI=1S/C104H60N6OS/c1-2-21-61(22-3-1)97-105-98(68-26-18-23-62(53-68)65-45-50-91-82(56-65)77-33-8-15-40-89(77)103(91)85-36-11-4-29-73(85)74-30-5-12-37-86(74)103)110-102(106-97)72-44-49-81-84-58-67(47-52-95(84)112-96(81)60-72)64-25-20-28-70(55-64)100-107-99(108-101(109-100)71-43-48-80-79-35-10-17-42-93(79)111-94(80)59-71)69-27-19-24-63(54-69)66-46-51-92-83(57-66)78-34-9-16-41-90(78)104(92)87-38-13-6-31-75(87)76-32-7-14-39-88(76)104/h1-60H
InChIKeyLSJYWZMMVYRJBA-UHFFFAOYSA-N
MW1441.73 g/mol
LogP26.01
Rot. Bonds9

About 2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine

2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine (PubChem CID 167177443) has the molecular formula C104H60N6OS and a molecular weight of 1441.73 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
PubChem CID167177443
Molecular FormulaC104H60N6OS
Molecular Weight1441.73 g/mol
Exact Mass1440.45
IUPAC Name2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)nc(-c3ccc4c(c3)sc3ccc(-c5cccc(-c6nc(-c7cccc(-c8ccc9c(c8)-c8ccccc8C98c9ccccc9-c9ccccc98)c7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c5)cc34)n2)cc1
InChIInChI=1S/C104H60N6OS/c1-2-21-61(22-3-1)97-105-98(68-26-18-23-62(53-68)65-45-50-91-82(56-65)77-33-8-15-40-89(77)103(91)85-36-11-4-29-73(85)74-30-5-12-37-86(74)103)110-102(106-97)72-44-49-81-84-58-67(47-52-95(84)112-96(81)60-72)64-25-20-28-70(55-64)100-107-99(108-101(109-100)71-43-48-80-79-35-10-17-42-93(79)111-94(80)59-71)69-27-19-24-63(54-69)66-46-51-92-83(57-66)78-34-9-16-41-90(78)104(92)87-38-13-6-31-75(87)76-32-7-14-39-88(76)104/h1-60H
InChIKeyLSJYWZMMVYRJBA-UHFFFAOYSA-N
XLogP26.01
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001441.73
LogP ≤ 526.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734654
2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[11,24-dithiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-ylphenyl)-1,3,5-triazine
CID 164720901
2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734860
2-dibenzothiophen-2-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734693
2-[8-(2-dibenzofuran-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192055
2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine
CID 148861286
2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166003122
2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[24-oxa-11-thiaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-21-ylphenyl)-1,3,5-triazine
CID 164720983
2-dibenzofuran-3-yl-4-[8-(2-dibenzothiophen-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 170192686
2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazine
CID 159236238
2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazine
CID 159437519
2-(8-dibenzofuran-2-yldibenzothiophen-3-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139549099

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine (CID 167177443) is 2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)nc(-c3ccc4c(c3)sc3ccc(-c5cccc(-c6nc(-c7cccc(-c8ccc9c(c8)-c8ccccc8C98c9ccccc9-c9ccccc98)c7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c5)cc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine?
The InChIKey is LSJYWZMMVYRJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H60N6OS/c1-2-21-61(22-3-1)97-105-98(68-26-18-23-62(53-68)65-45-50-91-82(56-65)77-33-8-15-40-89(77)103(91)85-36-11-4-29-73(85)74-30-5-12-37-86(74)103)110-102(106-97)72-44-49-81-84-58-67(47-52-95(84)112-96(81)60-72)64-25-20-28-70(55-64)100-107-99(108-101(109-100)71-43-48-80-79-35-10-17-42-93(79)111-94(80)59-71)69-27-19-24-63(54-69)66-46-51-92-83(57-66)78-34-9-16-41-90(78)104(92)87-38-13-6-31-75(87)76-32-7-14-39-88(76)104/h1-60H.
What are the key properties of 2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine?
2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine has a molecular weight of 1441.73 g/mol, XLogP of 26.01, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-[3-[7-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 167177443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).