2,3,6,7-tetrapyridin-2-yl-9-[8-(2,3,6,7-tetrapyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole

C76H46N10O — CID 58501542

IUPAC2,3,6,7-tetrapyridin-2-yl-9-[8-(2,3,6,7-tetrapyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2cc3c4cc(-c5ccccn5)c(-c5ccccn5)cc4n(-c4ccc5oc6ccc(-n7c8cc(-c9ccccn9)c(-c9ccccn9)cc8c8cc(-c9ccccn9)c(-c9ccccn9)cc87)cc6c5c4)c3cc2-c2ccccn2)nc1
InChIInChI=1S/C76H46N10O/c1-9-29-77-63(17-1)49-39-57-58-40-50(64-18-2-10-30-78-64)54(68-22-6-14-34-82-68)44-72(58)85(71(57)43-53(49)67-21-5-13-33-81-67)47-25-27-75-61(37-47)62-38-48(26-28-76(62)87-75)86-73-45-55(69-23-7-15-35-83-69)51(65-19-3-11-31-79-65)41-59(73)60-42-52(66-20-4-12-32-80-66)56(46-74(60)86)70-24-8-16-36-84-70/h1-46H
InChIKeyOUBGNWVSSAUIOQ-UHFFFAOYSA-N
MW1115.27 g/mol
LogP18.28
Rot. Bonds10

About 2,3,6,7-tetrapyridin-2-yl-9-[8-(2,3,6,7-tetrapyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole

2,3,6,7-tetrapyridin-2-yl-9-[8-(2,3,6,7-tetrapyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole (PubChem CID 58501542) has the molecular formula C76H46N10O and a molecular weight of 1115.27 g/mol. Its IUPAC name is 2,3,6,7-tetrapyridin-2-yl-9-[8-(2,3,6,7-tetrapyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name2,3,6,7-tetrapyridin-2-yl-9-[8-(2,3,6,7-tetrapyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
PubChem CID58501542
Molecular FormulaC76H46N10O
Molecular Weight1115.27 g/mol
Exact Mass1114.39
IUPAC Name2,3,6,7-tetrapyridin-2-yl-9-[8-(2,3,6,7-tetrapyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2cc3c4cc(-c5ccccn5)c(-c5ccccn5)cc4n(-c4ccc5oc6ccc(-n7c8cc(-c9ccccn9)c(-c9ccccn9)cc8c8cc(-c9ccccn9)c(-c9ccccn9)cc87)cc6c5c4)c3cc2-c2ccccn2)nc1
InChIInChI=1S/C76H46N10O/c1-9-29-77-63(17-1)49-39-57-58-40-50(64-18-2-10-30-78-64)54(68-22-6-14-34-82-68)44-72(58)85(71(57)43-53(49)67-21-5-13-33-81-67)47-25-27-75-61(37-47)62-38-48(26-28-76(62)87-75)86-73-45-55(69-23-7-15-35-83-69)51(65-19-3-11-31-79-65)41-59(73)60-42-52(66-20-4-12-32-80-66)56(46-74(60)86)70-24-8-16-36-84-70/h1-46H
InChIKeyOUBGNWVSSAUIOQ-UHFFFAOYSA-N
XLogP18.28
TPSA126.12 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001115.27
LogP ≤ 518.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrapyridin-2-yl-9-[8-(2,3,6,7-tetrapyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole?
The IUPAC name of 2,3,6,7-tetrapyridin-2-yl-9-[8-(2,3,6,7-tetrapyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole (CID 58501542) is 2,3,6,7-tetrapyridin-2-yl-9-[8-(2,3,6,7-tetrapyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 2,3,6,7-tetrapyridin-2-yl-9-[8-(2,3,6,7-tetrapyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole?
The canonical SMILES for 2,3,6,7-tetrapyridin-2-yl-9-[8-(2,3,6,7-tetrapyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole is c1ccc(-c2cc3c4cc(-c5ccccn5)c(-c5ccccn5)cc4n(-c4ccc5oc6ccc(-n7c8cc(-c9ccccn9)c(-c9ccccn9)cc8c8cc(-c9ccccn9)c(-c9ccccn9)cc87)cc6c5c4)c3cc2-c2ccccn2)nc1.
What is the InChIKey of 2,3,6,7-tetrapyridin-2-yl-9-[8-(2,3,6,7-tetrapyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole?
The InChIKey is OUBGNWVSSAUIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46N10O/c1-9-29-77-63(17-1)49-39-57-58-40-50(64-18-2-10-30-78-64)54(68-22-6-14-34-82-68)44-72(58)85(71(57)43-53(49)67-21-5-13-33-81-67)47-25-27-75-61(37-47)62-38-48(26-28-76(62)87-75)86-73-45-55(69-23-7-15-35-83-69)51(65-19-3-11-31-79-65)41-59(73)60-42-52(66-20-4-12-32-80-66)56(46-74(60)86)70-24-8-16-36-84-70/h1-46H.
What are the key properties of 2,3,6,7-tetrapyridin-2-yl-9-[8-(2,3,6,7-tetrapyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole?
2,3,6,7-tetrapyridin-2-yl-9-[8-(2,3,6,7-tetrapyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole has a molecular weight of 1115.27 g/mol, XLogP of 18.28, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrapyridin-2-yl-9-[8-(2,3,6,7-tetrapyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 58501542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).