3-dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole

C97H61N5OS — CID 126632299

IUPAC3-dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)c5)nc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9sc%10ccccc%10c9c8)ccc76)c5)n4)c3)ccc21
InChIInChI=1S/C97H61N5OS/c1-97(2)82-30-9-3-24-70(82)76-51-58(36-42-83(76)97)59-37-43-89-77(52-59)71-25-4-10-31-86(71)100(89)67-21-15-18-64(48-67)84-57-85(65-19-16-22-68(49-65)101-87-32-11-5-26-72(87)78-53-60(38-44-90(78)101)62-40-46-93-80(55-62)74-28-7-13-34-92(74)103-93)99-96(98-84)66-20-17-23-69(50-66)102-88-33-12-6-27-73(88)79-54-61(39-45-91(79)102)63-41-47-95-81(56-63)75-29-8-14-35-94(75)104-95/h3-57H,1-2H3
InChIKeyOJTUDGSLYJHLIK-UHFFFAOYSA-N
MW1344.66 g/mol
LogP26.34
Rot. Bonds9

About 3-dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole

3-dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole (PubChem CID 126632299) has the molecular formula C97H61N5OS and a molecular weight of 1344.66 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole
PubChem CID126632299
Molecular FormulaC97H61N5OS
Molecular Weight1344.66 g/mol
Exact Mass1343.46
IUPAC Name3-dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)c5)nc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9sc%10ccccc%10c9c8)ccc76)c5)n4)c3)ccc21
InChIInChI=1S/C97H61N5OS/c1-97(2)82-30-9-3-24-70(82)76-51-58(36-42-83(76)97)59-37-43-89-77(52-59)71-25-4-10-31-86(71)100(89)67-21-15-18-64(48-67)84-57-85(65-19-16-22-68(49-65)101-87-32-11-5-26-72(87)78-53-60(38-44-90(78)101)62-40-46-93-80(55-62)74-28-7-13-34-92(74)103-93)99-96(98-84)66-20-17-23-69(50-66)102-88-33-12-6-27-73(88)79-54-61(39-45-91(79)102)63-41-47-95-81(56-63)75-29-8-14-35-94(75)104-95/h3-57H,1-2H3
InChIKeyOJTUDGSLYJHLIK-UHFFFAOYSA-N
XLogP26.34
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001344.66
LogP ≤ 526.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole (CID 126632299) is 3-dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)c5)nc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9sc%10ccccc%10c9c8)ccc76)c5)n4)c3)ccc21.
What is the InChIKey of 3-dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole?
The InChIKey is OJTUDGSLYJHLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H61N5OS/c1-97(2)82-30-9-3-24-70(82)76-51-58(36-42-83(76)97)59-37-43-89-77(52-59)71-25-4-10-31-86(71)100(89)67-21-15-18-64(48-67)84-57-85(65-19-16-22-68(49-65)101-87-32-11-5-26-72(87)78-53-60(38-44-90(78)101)62-40-46-93-80(55-62)74-28-7-13-34-92(74)103-93)99-96(98-84)66-20-17-23-69(50-66)102-88-33-12-6-27-73(88)79-54-61(39-45-91(79)102)63-41-47-95-81(56-63)75-29-8-14-35-94(75)104-95/h3-57H,1-2H3.
What are the key properties of 3-dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole?
3-dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole has a molecular weight of 1344.66 g/mol, XLogP of 26.34, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 126632299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).