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

C41H26N2O — CID 122693041

IUPAC2-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cc(-c2cccc(-c3ccc4oc5ccccc5c4n3)c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C41H26N2O/c1-4-19-37-33(16-1)34-17-2-5-20-38(34)43(37)32-15-9-13-30(26-32)28-11-7-10-27(24-28)29-12-8-14-31(25-29)36-22-23-40-41(42-36)35-18-3-6-21-39(35)44-40/h1-26H
InChIKeyJZSOALMAEYIVEJ-UHFFFAOYSA-N
MW562.67 g/mol
LogP11.08
Rot. Bonds4

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

2-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 122693041) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is 2-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name2-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID122693041
Molecular FormulaC41H26N2O
Molecular Weight562.67 g/mol
Exact Mass562.20
IUPAC Name2-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1cc(-c2cccc(-c3ccc4oc5ccccc5c4n3)c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C41H26N2O/c1-4-19-37-33(16-1)34-17-2-5-20-38(34)43(37)32-15-9-13-30(26-32)28-11-7-10-27(24-28)29-12-8-14-31(25-29)36-22-23-40-41(42-36)35-18-3-6-21-39(35)44-40/h1-26H
InChIKeyJZSOALMAEYIVEJ-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

9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
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-carbazol-9-ylphenyl)-4-phenyl-[1]benzofuro[3,2-b]pyridine
CID 122693010
9-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433742
9-(3-dibenzofuran-2-ylphenyl)-3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 118149420
3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole
CID 126632399
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
3-[8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[8-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 159222480
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158205728

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 2-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 122693041) is 2-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 2-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 2-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is c1cc(-c2cccc(-c3ccc4oc5ccccc5c4n3)c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 2-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is JZSOALMAEYIVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c1-4-19-37-33(16-1)34-17-2-5-20-38(34)43(37)32-15-9-13-30(26-32)28-11-7-10-27(24-28)29-12-8-14-31(25-29)36-22-23-40-41(42-36)35-18-3-6-21-39(35)44-40/h1-26H.
What are the key properties of 2-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
2-[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 2-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 122693041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).