3-(5-pyridin-2-yl-3-pyridinyl)-9-[8-[3-[8-[3-(5-pyridin-3-yl-3-pyridinyl)carbazol-9-yl]dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole

C74H44N6O2 — CID 118012312

IUPAC3-(5-pyridin-2-yl-3-pyridinyl)-9-[8-[3-[8-[3-(5-pyridin-3-yl-3-pyridinyl)carbazol-9-yl]dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2cncc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccc(-c6cccc(-c7ccc8oc9ccc(-n%10c%11ccccc%11c%11cc(-c%12cncc(-c%13cccnc%13)c%12)ccc%11%10)cc9c8c7)c6)cc5c4c3)c2)nc1
InChIInChI=1S/C74H44N6O2/c1-3-15-67-58(12-1)60-34-49(52-32-54(43-76-41-52)51-11-8-29-75-40-51)17-23-69(60)79(67)56-21-27-73-64(38-56)62-36-47(19-25-71(62)81-73)45-9-7-10-46(31-45)48-20-26-72-63(37-48)65-39-57(22-28-74(65)82-72)80-68-16-4-2-13-59(68)61-35-50(18-24-70(61)80)53-33-55(44-77-42-53)66-14-5-6-30-78-66/h1-44H
InChIKeyOKUCLOQDBHBHDB-UHFFFAOYSA-N
MW1049.21 g/mol
LogP19.26
Rot. Bonds8

About 3-(5-pyridin-2-yl-3-pyridinyl)-9-[8-[3-[8-[3-(5-pyridin-3-yl-3-pyridinyl)carbazol-9-yl]dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole

3-(5-pyridin-2-yl-3-pyridinyl)-9-[8-[3-[8-[3-(5-pyridin-3-yl-3-pyridinyl)carbazol-9-yl]dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole (PubChem CID 118012312) has the molecular formula C74H44N6O2 and a molecular weight of 1049.21 g/mol. Its IUPAC name is 3-(5-pyridin-2-yl-3-pyridinyl)-9-[8-[3-[8-[3-(5-pyridin-3-yl-3-pyridinyl)carbazol-9-yl]dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name3-(5-pyridin-2-yl-3-pyridinyl)-9-[8-[3-[8-[3-(5-pyridin-3-yl-3-pyridinyl)carbazol-9-yl]dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole
PubChem CID118012312
Molecular FormulaC74H44N6O2
Molecular Weight1049.21 g/mol
Exact Mass1048.35
IUPAC Name3-(5-pyridin-2-yl-3-pyridinyl)-9-[8-[3-[8-[3-(5-pyridin-3-yl-3-pyridinyl)carbazol-9-yl]dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2cncc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccc(-c6cccc(-c7ccc8oc9ccc(-n%10c%11ccccc%11c%11cc(-c%12cncc(-c%13cccnc%13)c%12)ccc%11%10)cc9c8c7)c6)cc5c4c3)c2)nc1
InChIInChI=1S/C74H44N6O2/c1-3-15-67-58(12-1)60-34-49(52-32-54(43-76-41-52)51-11-8-29-75-40-51)17-23-69(60)79(67)56-21-27-73-64(38-56)62-36-47(19-25-71(62)81-73)45-9-7-10-46(31-45)48-20-26-72-63(37-48)65-39-57(22-28-74(65)82-72)80-68-16-4-2-13-59(68)61-35-50(18-24-70(61)80)53-33-55(44-77-42-53)66-14-5-6-30-78-66/h1-44H
InChIKeyOKUCLOQDBHBHDB-UHFFFAOYSA-N
XLogP19.26
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.21
LogP ≤ 519.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(5-pyridin-2-yl-3-pyridinyl)-9-[8-[3-[8-[3-(5-pyridin-3-yl-3-pyridinyl)carbazol-9-yl]dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(5-pyridin-2-yl-3-pyridinyl)-9-[8-[3-[8-[3-(5-pyridin-3-yl-3-pyridinyl)carbazol-9-yl]dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 3-(5-pyridin-2-yl-3-pyridinyl)-9-[8-[3-[8-[3-(5-pyridin-3-yl-3-pyridinyl)carbazol-9-yl]dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole (CID 118012312) is 3-(5-pyridin-2-yl-3-pyridinyl)-9-[8-[3-[8-[3-(5-pyridin-3-yl-3-pyridinyl)carbazol-9-yl]dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 3-(5-pyridin-2-yl-3-pyridinyl)-9-[8-[3-[8-[3-(5-pyridin-3-yl-3-pyridinyl)carbazol-9-yl]dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 3-(5-pyridin-2-yl-3-pyridinyl)-9-[8-[3-[8-[3-(5-pyridin-3-yl-3-pyridinyl)carbazol-9-yl]dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole is c1ccc(-c2cncc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccc(-c6cccc(-c7ccc8oc9ccc(-n%10c%11ccccc%11c%11cc(-c%12cncc(-c%13cccnc%13)c%12)ccc%11%10)cc9c8c7)c6)cc5c4c3)c2)nc1.
What is the InChIKey of 3-(5-pyridin-2-yl-3-pyridinyl)-9-[8-[3-[8-[3-(5-pyridin-3-yl-3-pyridinyl)carbazol-9-yl]dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole?
The InChIKey is OKUCLOQDBHBHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H44N6O2/c1-3-15-67-58(12-1)60-34-49(52-32-54(43-76-41-52)51-11-8-29-75-40-51)17-23-69(60)79(67)56-21-27-73-64(38-56)62-36-47(19-25-71(62)81-73)45-9-7-10-46(31-45)48-20-26-72-63(37-48)65-39-57(22-28-74(65)82-72)80-68-16-4-2-13-59(68)61-35-50(18-24-70(61)80)53-33-55(44-77-42-53)66-14-5-6-30-78-66/h1-44H.
What are the key properties of 3-(5-pyridin-2-yl-3-pyridinyl)-9-[8-[3-[8-[3-(5-pyridin-3-yl-3-pyridinyl)carbazol-9-yl]dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole?
3-(5-pyridin-2-yl-3-pyridinyl)-9-[8-[3-[8-[3-(5-pyridin-3-yl-3-pyridinyl)carbazol-9-yl]dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole has a molecular weight of 1049.21 g/mol, XLogP of 19.26, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyridin-2-yl-3-pyridinyl)-9-[8-[3-[8-[3-(5-pyridin-3-yl-3-pyridinyl)carbazol-9-yl]dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 118012312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).