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

C85H51N7OS — CID 129103428

IUPAC3-dibenzofuran-4-yl-9-[4-phenyl-6-[3-[6-[9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccnc(-c4cccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccc(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-n%11c%12ccccc%12c%12cc(-c%13cccc%14c%13oc%13ccccc%13%14)ccc%12%11)n%10)c9)cc78)ccc65)c4)n3)cc2)cc1
InChIInChI=1S/C85H51N7OS/c1-3-17-52(18-4-1)53-35-37-54(38-36-53)73-45-46-86-82(87-73)61-23-14-24-62(48-61)91-74-32-10-7-25-65(74)70-51-59(40-42-76(70)91)64-29-16-31-69-72-49-57(41-44-79(72)94-81(64)69)56-21-13-22-60(47-56)84-88-83(55-19-5-2-6-20-55)89-85(90-84)92-75-33-11-8-26-66(75)71-50-58(39-43-77(71)92)63-28-15-30-68-67-27-9-12-34-78(67)93-80(63)68/h1-51H
InChIKeySGXFDYBJDNTHPM-UHFFFAOYSA-N
MW1218.46 g/mol
LogP22.46
Rot. Bonds10

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

3-dibenzofuran-4-yl-9-[4-phenyl-6-[3-[6-[9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 129103428) has the molecular formula C85H51N7OS and a molecular weight of 1218.46 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-[4-phenyl-6-[3-[6-[9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-[4-phenyl-6-[3-[6-[9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID129103428
Molecular FormulaC85H51N7OS
Molecular Weight1218.46 g/mol
Exact Mass1217.39
IUPAC Name3-dibenzofuran-4-yl-9-[4-phenyl-6-[3-[6-[9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccnc(-c4cccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccc(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-n%11c%12ccccc%12c%12cc(-c%13cccc%14c%13oc%13ccccc%13%14)ccc%12%11)n%10)c9)cc78)ccc65)c4)n3)cc2)cc1
InChIInChI=1S/C85H51N7OS/c1-3-17-52(18-4-1)53-35-37-54(38-36-53)73-45-46-86-82(87-73)61-23-14-24-62(48-61)91-74-32-10-7-25-65(74)70-51-59(40-42-76(70)91)64-29-16-31-69-72-49-57(41-44-79(72)94-81(64)69)56-21-13-22-60(47-56)84-88-83(55-19-5-2-6-20-55)89-85(90-84)92-75-33-11-8-26-66(75)71-50-58(39-43-77(71)92)63-28-15-30-68-67-27-9-12-34-78(67)93-80(63)68/h1-51H
InChIKeySGXFDYBJDNTHPM-UHFFFAOYSA-N
XLogP22.46
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001218.46
LogP ≤ 522.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-[4-phenyl-6-[3-[6-[9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-[4-phenyl-6-[3-[6-[9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole (CID 129103428) is 3-dibenzofuran-4-yl-9-[4-phenyl-6-[3-[6-[9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-[4-phenyl-6-[3-[6-[9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-[4-phenyl-6-[3-[6-[9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc(-c3ccnc(-c4cccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccc(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-n%11c%12ccccc%12c%12cc(-c%13cccc%14c%13oc%13ccccc%13%14)ccc%12%11)n%10)c9)cc78)ccc65)c4)n3)cc2)cc1.
What is the InChIKey of 3-dibenzofuran-4-yl-9-[4-phenyl-6-[3-[6-[9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is SGXFDYBJDNTHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H51N7OS/c1-3-17-52(18-4-1)53-35-37-54(38-36-53)73-45-46-86-82(87-73)61-23-14-24-62(48-61)91-74-32-10-7-25-65(74)70-51-59(40-42-76(70)91)64-29-16-31-69-72-49-57(41-44-79(72)94-81(64)69)56-21-13-22-60(47-56)84-88-83(55-19-5-2-6-20-55)89-85(90-84)92-75-33-11-8-26-66(75)71-50-58(39-43-77(71)92)63-28-15-30-68-67-27-9-12-34-78(67)93-80(63)68/h1-51H.
What are the key properties of 3-dibenzofuran-4-yl-9-[4-phenyl-6-[3-[6-[9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole?
3-dibenzofuran-4-yl-9-[4-phenyl-6-[3-[6-[9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 1218.46 g/mol, XLogP of 22.46, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-[4-phenyl-6-[3-[6-[9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 129103428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).