3-[5-[3-carbazol-9-yl-5-(7-dibenzothiophen-2-yldibenzofuran-2-yl)phenyl]-2-pyridinyl]-9-phenylcarbazole

C65H39N3OS — CID 122666183

IUPAC3-[5-[3-carbazol-9-yl-5-(7-dibenzothiophen-2-yldibenzofuran-2-yl)phenyl]-2-pyridinyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cc(-c6ccc7oc8cc(-c9ccc%10sc%11ccccc%11c%10c9)ccc8c7c6)cc(-n6c7ccccc7c7ccccc76)c5)cn4)ccc32)cc1
InChIInChI=1S/C65H39N3OS/c1-2-12-47(13-3-1)67-60-20-10-6-16-51(60)54-37-43(24-29-61(54)67)57-28-23-44(39-66-57)46-32-45(33-48(34-46)68-58-18-8-4-14-49(58)50-15-5-9-19-59(50)68)41-25-30-62-55(35-41)52-27-22-42(38-63(52)69-62)40-26-31-65-56(36-40)53-17-7-11-21-64(53)70-65/h1-39H
InChIKeyIEDYMLGAPJPUFP-UHFFFAOYSA-N
MW910.11 g/mol
LogP18.21
Rot. Bonds6

About 3-[5-[3-carbazol-9-yl-5-(7-dibenzothiophen-2-yldibenzofuran-2-yl)phenyl]-2-pyridinyl]-9-phenylcarbazole

3-[5-[3-carbazol-9-yl-5-(7-dibenzothiophen-2-yldibenzofuran-2-yl)phenyl]-2-pyridinyl]-9-phenylcarbazole (PubChem CID 122666183) has the molecular formula C65H39N3OS and a molecular weight of 910.11 g/mol. Its IUPAC name is 3-[5-[3-carbazol-9-yl-5-(7-dibenzothiophen-2-yldibenzofuran-2-yl)phenyl]-2-pyridinyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[5-[3-carbazol-9-yl-5-(7-dibenzothiophen-2-yldibenzofuran-2-yl)phenyl]-2-pyridinyl]-9-phenylcarbazole
PubChem CID122666183
Molecular FormulaC65H39N3OS
Molecular Weight910.11 g/mol
Exact Mass909.28
IUPAC Name3-[5-[3-carbazol-9-yl-5-(7-dibenzothiophen-2-yldibenzofuran-2-yl)phenyl]-2-pyridinyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cc(-c6ccc7oc8cc(-c9ccc%10sc%11ccccc%11c%10c9)ccc8c7c6)cc(-n6c7ccccc7c7ccccc76)c5)cn4)ccc32)cc1
InChIInChI=1S/C65H39N3OS/c1-2-12-47(13-3-1)67-60-20-10-6-16-51(60)54-37-43(24-29-61(54)67)57-28-23-44(39-66-57)46-32-45(33-48(34-46)68-58-18-8-4-14-49(58)50-15-5-9-19-59(50)68)41-25-30-62-55(35-41)52-27-22-42(38-63(52)69-62)40-26-31-65-56(36-40)53-17-7-11-21-64(53)70-65/h1-39H
InChIKeyIEDYMLGAPJPUFP-UHFFFAOYSA-N
XLogP18.21
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.11
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-carbazol-9-yl-5-(7-dibenzothiophen-2-yldibenzofuran-2-yl)phenyl]-2-pyridinyl]-9-phenylcarbazole?
The IUPAC name of 3-[5-[3-carbazol-9-yl-5-(7-dibenzothiophen-2-yldibenzofuran-2-yl)phenyl]-2-pyridinyl]-9-phenylcarbazole (CID 122666183) is 3-[5-[3-carbazol-9-yl-5-(7-dibenzothiophen-2-yldibenzofuran-2-yl)phenyl]-2-pyridinyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[5-[3-carbazol-9-yl-5-(7-dibenzothiophen-2-yldibenzofuran-2-yl)phenyl]-2-pyridinyl]-9-phenylcarbazole?
The canonical SMILES for 3-[5-[3-carbazol-9-yl-5-(7-dibenzothiophen-2-yldibenzofuran-2-yl)phenyl]-2-pyridinyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cc(-c6ccc7oc8cc(-c9ccc%10sc%11ccccc%11c%10c9)ccc8c7c6)cc(-n6c7ccccc7c7ccccc76)c5)cn4)ccc32)cc1.
What is the InChIKey of 3-[5-[3-carbazol-9-yl-5-(7-dibenzothiophen-2-yldibenzofuran-2-yl)phenyl]-2-pyridinyl]-9-phenylcarbazole?
The InChIKey is IEDYMLGAPJPUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N3OS/c1-2-12-47(13-3-1)67-60-20-10-6-16-51(60)54-37-43(24-29-61(54)67)57-28-23-44(39-66-57)46-32-45(33-48(34-46)68-58-18-8-4-14-49(58)50-15-5-9-19-59(50)68)41-25-30-62-55(35-41)52-27-22-42(38-63(52)69-62)40-26-31-65-56(36-40)53-17-7-11-21-64(53)70-65/h1-39H.
What are the key properties of 3-[5-[3-carbazol-9-yl-5-(7-dibenzothiophen-2-yldibenzofuran-2-yl)phenyl]-2-pyridinyl]-9-phenylcarbazole?
3-[5-[3-carbazol-9-yl-5-(7-dibenzothiophen-2-yldibenzofuran-2-yl)phenyl]-2-pyridinyl]-9-phenylcarbazole has a molecular weight of 910.11 g/mol, XLogP of 18.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-carbazol-9-yl-5-(7-dibenzothiophen-2-yldibenzofuran-2-yl)phenyl]-2-pyridinyl]-9-phenylcarbazole is sourced from PubChem (CID 122666183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).