8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine

C41H26N2O — CID 90265549

IUPAC8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cc(-c2cccc(-c3ccc4oc5cccnc5c4c3)c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C41H26N2O/c1-3-17-37-34(15-1)35-16-2-4-18-38(35)43(37)33-14-7-13-31(25-33)29-11-5-9-27(23-29)28-10-6-12-30(24-28)32-20-21-39-36(26-32)41-40(44-39)19-8-22-42-41/h1-26H
InChIKeyOZDJCKDTZGWMGK-UHFFFAOYSA-N
MW562.67 g/mol
LogP11.08
Rot. Bonds4

About 8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine

8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 90265549) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is 8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID90265549
Molecular FormulaC41H26N2O
Molecular Weight562.67 g/mol
Exact Mass562.20
IUPAC Name8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cc(-c2cccc(-c3ccc4oc5cccnc5c4c3)c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C41H26N2O/c1-3-17-37-34(15-1)35-16-2-4-18-38(35)43(37)33-14-7-13-31(25-33)29-11-5-9-27(23-29)28-10-6-12-30(24-28)32-20-21-39-36(26-32)41-40(44-39)19-8-22-42-41/h1-26H
InChIKeyOZDJCKDTZGWMGK-UHFFFAOYSA-N
XLogP11.08
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 122688012
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-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 122693136
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
8-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265556
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
8-[2-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 122692983
8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265578
6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 122692968
8-[3-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;5-[3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]pyrido[3,2-b]indole;5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole;5-[3-[3-[3-(3-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]phenyl]pyrido[3,2-b]indole
CID 157389603
8-(3'-carbazol-9-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)-[1]benzofuro[3,2-b]pyridine
CID 140752184
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

Frequently Asked Questions

What is the IUPAC name of 8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 90265549) is 8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is c1cc(-c2cccc(-c3ccc4oc5cccnc5c4c3)c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is OZDJCKDTZGWMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c1-3-17-37-34(15-1)35-16-2-4-18-38(35)43(37)33-14-7-13-31(25-33)29-11-5-9-27(23-29)28-10-6-12-30(24-28)32-20-21-39-36(26-32)41-40(44-39)19-8-22-42-41/h1-26H.
What are the key properties of 8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 562.67 g/mol, XLogP of 11.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 90265549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).