3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole

C90H53N3OS2 — CID 58099788

IUPAC3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5ccccc56)c5sc6c(-c7ccccc7-c7cccc8c7oc7ccc(-n9c%10ccccc%10c%10ccccc%109)cc78)cccc6c45)ccc32)cc1
InChIInChI=1S/C90H53N3OS2/c1-2-21-56(22-3-1)91-79-39-15-10-29-65(79)74-51-54(43-48-81(74)91)58-23-4-5-24-60(58)68-47-46-59(55-44-49-82-75(52-55)66-30-11-16-40-80(66)93(82)83-41-20-35-72-67-31-12-17-42-85(67)95-89(72)83)90-86(68)73-36-19-34-71(88(73)96-90)62-26-7-6-25-61(62)69-32-18-33-70-76-53-57(45-50-84(76)94-87(69)70)92-77-37-13-8-27-63(77)64-28-9-14-38-78(64)92/h1-53H
InChIKeyIQIUZYZDNKLFTG-UHFFFAOYSA-N
MW1256.57 g/mol
LogP25.95
Rot. Bonds8

About 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole

3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole (PubChem CID 58099788) has the molecular formula C90H53N3OS2 and a molecular weight of 1256.57 g/mol. Its IUPAC name is 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
PubChem CID58099788
Molecular FormulaC90H53N3OS2
Molecular Weight1256.57 g/mol
Exact Mass1255.36
IUPAC Name3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5ccccc56)c5sc6c(-c7ccccc7-c7cccc8c7oc7ccc(-n9c%10ccccc%10c%10ccccc%109)cc78)cccc6c45)ccc32)cc1
InChIInChI=1S/C90H53N3OS2/c1-2-21-56(22-3-1)91-79-39-15-10-29-65(79)74-51-54(43-48-81(74)91)58-23-4-5-24-60(58)68-47-46-59(55-44-49-82-75(52-55)66-30-11-16-40-80(66)93(82)83-41-20-35-72-67-31-12-17-42-85(67)95-89(72)83)90-86(68)73-36-19-34-71(88(73)96-90)62-26-7-6-25-61(62)69-32-18-33-70-76-53-57(45-50-84(76)94-87(69)70)92-77-37-13-8-27-63(77)64-28-9-14-38-78(64)92/h1-53H
InChIKeyIQIUZYZDNKLFTG-UHFFFAOYSA-N
XLogP25.95
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001256.57
LogP ≤ 525.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole (CID 58099788) is 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5ccccc56)c5sc6c(-c7ccccc7-c7cccc8c7oc7ccc(-n9c%10ccccc%10c%10ccccc%109)cc78)cccc6c45)ccc32)cc1.
What is the InChIKey of 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole?
The InChIKey is IQIUZYZDNKLFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H53N3OS2/c1-2-21-56(22-3-1)91-79-39-15-10-29-65(79)74-51-54(43-48-81(74)91)58-23-4-5-24-60(58)68-47-46-59(55-44-49-82-75(52-55)66-30-11-16-40-80(66)93(82)83-41-20-35-72-67-31-12-17-42-85(67)95-89(72)83)90-86(68)73-36-19-34-71(88(73)96-90)62-26-7-6-25-61(62)69-32-18-33-70-76-53-57(45-50-84(76)94-87(69)70)92-77-37-13-8-27-63(77)64-28-9-14-38-78(64)92/h1-53H.
What are the key properties of 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole?
3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole has a molecular weight of 1256.57 g/mol, XLogP of 25.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 58099788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).