8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-2-yl]-2-phenylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine

C52H30N4O2 — CID 90348743

IUPAC8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-2-yl]-2-phenylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccc6oc7cccnc7c6c5)c4c2)c2ccccc2n3-c2ccc3oc4cccnc4c3c2)cc1
InChIInChI=1S/C52H30N4O2/c1-2-10-31(11-3-1)39-30-46-40(36-13-5-7-15-44(36)56(46)34-20-23-48-42(28-34)52-50(58-48)17-9-25-54-52)29-38(39)32-18-21-37-35-12-4-6-14-43(35)55(45(37)26-32)33-19-22-47-41(27-33)51-49(57-47)16-8-24-53-51/h1-30H
InChIKeyQTFKPIWEDOHDPL-UHFFFAOYSA-N
MW742.84 g/mol
LogP13.80
Rot. Bonds4

About 8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-2-yl]-2-phenylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine

8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-2-yl]-2-phenylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 90348743) has the molecular formula C52H30N4O2 and a molecular weight of 742.84 g/mol. Its IUPAC name is 8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-2-yl]-2-phenylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-2-yl]-2-phenylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
PubChem CID90348743
Molecular FormulaC52H30N4O2
Molecular Weight742.84 g/mol
Exact Mass742.24
IUPAC Name8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-2-yl]-2-phenylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccc6oc7cccnc7c6c5)c4c2)c2ccccc2n3-c2ccc3oc4cccnc4c3c2)cc1
InChIInChI=1S/C52H30N4O2/c1-2-10-31(11-3-1)39-30-46-40(36-13-5-7-15-44(36)56(46)34-20-23-48-42(28-34)52-50(58-48)17-9-25-54-52)29-38(39)32-18-21-37-35-12-4-6-14-43(35)55(45(37)26-32)33-19-22-47-41(27-33)51-49(57-47)16-8-24-53-51/h1-30H
InChIKeyQTFKPIWEDOHDPL-UHFFFAOYSA-N
XLogP13.80
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.84
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole
CID 90321574
8-[2-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 122692983
8-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 122693136
8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 122688012
8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265549
2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 90352217
9-dibenzofuran-2-yl-2-phenyl-3-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]carbazole
CID 90348742
8-(2-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 157260018
9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole
CID 90348740
8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265787
8-[3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole;8-[3-[3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 160530404
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066

Frequently Asked Questions

What is the IUPAC name of 8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-2-yl]-2-phenylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-2-yl]-2-phenylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine (CID 90348743) is 8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-2-yl]-2-phenylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-2-yl]-2-phenylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-2-yl]-2-phenylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccc6oc7cccnc7c6c5)c4c2)c2ccccc2n3-c2ccc3oc4cccnc4c3c2)cc1.
What is the InChIKey of 8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-2-yl]-2-phenylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is QTFKPIWEDOHDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O2/c1-2-10-31(11-3-1)39-30-46-40(36-13-5-7-15-44(36)56(46)34-20-23-48-42(28-34)52-50(58-48)17-9-25-54-52)29-38(39)32-18-21-37-35-12-4-6-14-43(35)55(45(37)26-32)33-19-22-47-41(27-33)51-49(57-47)16-8-24-53-51/h1-30H.
What are the key properties of 8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-2-yl]-2-phenylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?
8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-2-yl]-2-phenylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 742.84 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-2-yl]-2-phenylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 90348743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).