9-[2-carbazol-9-yl-3-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-[4-[3,4-di(carbazol-9-yl)-2-dibenzofuran-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

C114H68N10OS — CID 134590948

IUPAC9-[2-carbazol-9-yl-3-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-[4-[3,4-di(carbazol-9-yl)-2-dibenzofuran-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-c5cccc6c5sc5ccccc56)c4-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C114H68N10OS/c1-4-32-69(33-5-1)109-115-110(70-34-6-2-7-35-70)118-114(117-109)89-65-67-99(106(124-94-58-23-14-44-79(94)80-45-15-24-59-95(80)124)104(89)87-53-30-51-84-82-47-18-27-63-101(82)126-108(84)87)122-96-60-25-16-48-85(96)102-74(49-31-61-97(102)122)72-38-28-39-73(68-72)112-116-111(71-36-8-3-9-37-71)119-113(120-112)88-64-66-98(121-90-54-19-10-40-75(90)76-41-11-20-55-91(76)121)105(123-92-56-21-12-42-77(92)78-43-13-22-57-93(78)123)103(88)86-52-29-50-83-81-46-17-26-62-100(81)125-107(83)86/h1-68H
InChIKeyZUYXMJOKJUIWND-UHFFFAOYSA-N
MW1625.93 g/mol
LogP29.72
Rot. Bonds13

About 9-[2-carbazol-9-yl-3-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-[4-[3,4-di(carbazol-9-yl)-2-dibenzofuran-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

9-[2-carbazol-9-yl-3-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-[4-[3,4-di(carbazol-9-yl)-2-dibenzofuran-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 134590948) has the molecular formula C114H68N10OS and a molecular weight of 1625.93 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-3-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-[4-[3,4-di(carbazol-9-yl)-2-dibenzofuran-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-carbazol-9-yl-3-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-[4-[3,4-di(carbazol-9-yl)-2-dibenzofuran-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID134590948
Molecular FormulaC114H68N10OS
Molecular Weight1625.93 g/mol
Exact Mass1624.53
IUPAC Name9-[2-carbazol-9-yl-3-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-[4-[3,4-di(carbazol-9-yl)-2-dibenzofuran-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-c5cccc6c5sc5ccccc56)c4-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C114H68N10OS/c1-4-32-69(33-5-1)109-115-110(70-34-6-2-7-35-70)118-114(117-109)89-65-67-99(106(124-94-58-23-14-44-79(94)80-45-15-24-59-95(80)124)104(89)87-53-30-51-84-82-47-18-27-63-101(82)126-108(84)87)122-96-60-25-16-48-85(96)102-74(49-31-61-97(102)122)72-38-28-39-73(68-72)112-116-111(71-36-8-3-9-37-71)119-113(120-112)88-64-66-98(121-90-54-19-10-40-75(90)76-41-11-20-55-91(76)121)105(123-92-56-21-12-42-77(92)78-43-13-22-57-93(78)123)103(88)86-52-29-50-83-81-46-17-26-62-100(81)125-107(83)86/h1-68H
InChIKeyZUYXMJOKJUIWND-UHFFFAOYSA-N
XLogP29.72
TPSA110.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001625.93
LogP ≤ 529.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[2-carbazol-9-yl-3-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-[4-[3,4-di(carbazol-9-yl)-2-dibenzofuran-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2-carbazol-9-yl-3-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-[4-[3,4-di(carbazol-9-yl)-2-dibenzofuran-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[2-carbazol-9-yl-3-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-[4-[3,4-di(carbazol-9-yl)-2-dibenzofuran-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 134590948) is 9-[2-carbazol-9-yl-3-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-[4-[3,4-di(carbazol-9-yl)-2-dibenzofuran-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[2-carbazol-9-yl-3-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-[4-[3,4-di(carbazol-9-yl)-2-dibenzofuran-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[2-carbazol-9-yl-3-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-[4-[3,4-di(carbazol-9-yl)-2-dibenzofuran-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2nc(-c3cccc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-c5cccc6c5sc5ccccc56)c4-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 9-[2-carbazol-9-yl-3-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-[4-[3,4-di(carbazol-9-yl)-2-dibenzofuran-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is ZUYXMJOKJUIWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H68N10OS/c1-4-32-69(33-5-1)109-115-110(70-34-6-2-7-35-70)118-114(117-109)89-65-67-99(106(124-94-58-23-14-44-79(94)80-45-15-24-59-95(80)124)104(89)87-53-30-51-84-82-47-18-27-63-101(82)126-108(84)87)122-96-60-25-16-48-85(96)102-74(49-31-61-97(102)122)72-38-28-39-73(68-72)112-116-111(71-36-8-3-9-37-71)119-113(120-112)88-64-66-98(121-90-54-19-10-40-75(90)76-41-11-20-55-91(76)121)105(123-92-56-21-12-42-77(92)78-43-13-22-57-93(78)123)103(88)86-52-29-50-83-81-46-17-26-62-100(81)125-107(83)86/h1-68H.
What are the key properties of 9-[2-carbazol-9-yl-3-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-[4-[3,4-di(carbazol-9-yl)-2-dibenzofuran-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[2-carbazol-9-yl-3-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-[4-[3,4-di(carbazol-9-yl)-2-dibenzofuran-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 1625.93 g/mol, XLogP of 29.72, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-carbazol-9-yl-3-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-[4-[3,4-di(carbazol-9-yl)-2-dibenzofuran-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 134590948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).