3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine

C50H36N2O — CID 170177073

IUPAC3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccc(-c3cccc(CCC(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cnc5oc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C50H36N2O/c1-2-12-35(13-3-1)36-22-24-37(25-23-36)39-14-10-11-34(31-39)21-30-42(40-32-46-45-17-6-9-20-49(45)53-50(46)51-33-40)38-26-28-41(29-27-38)52-47-18-7-4-15-43(47)44-16-5-8-19-48(44)52/h1-20,22-29,31-33,42H,21,30H2
InChIKeyUPRXIOLGVIZFNF-UHFFFAOYSA-N
MW680.85 g/mol
LogP13.18
Rot. Bonds8

About 3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine

3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 170177073) has the molecular formula C50H36N2O and a molecular weight of 680.85 g/mol. Its IUPAC name is 3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID170177073
Molecular FormulaC50H36N2O
Molecular Weight680.85 g/mol
Exact Mass680.28
IUPAC Name3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccc(-c3cccc(CCC(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cnc5oc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C50H36N2O/c1-2-12-35(13-3-1)36-22-24-37(25-23-36)39-14-10-11-34(31-39)21-30-42(40-32-46-45-17-6-9-20-49(45)53-50(46)51-33-40)38-26-28-41(29-27-38)52-47-18-7-4-15-43(47)44-16-5-8-19-48(44)52/h1-20,22-29,31-33,42H,21,30H2
InChIKeyUPRXIOLGVIZFNF-UHFFFAOYSA-N
XLogP13.18
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.85
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole
CID 156568545
3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine
CID 157254942
10-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]acridin-9-one
CID 130353952
2-phenyl-5-[1-(9-phenylcarbazol-3-yl)-3-(3-phenylphenyl)propyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 170261095
5-naphthalen-2-yl-8-[3-(3-phenylphenyl)-3-(4-phenylphenyl)propyl]benzo[b]carbazole
CID 155034963
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine
CID 170177327
3-dibenzofuran-3-yl-9-[4-[4-phenyl-6-(3-propylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167001747
9-[4-(8-phenyldibenzofuran-2-yl)phenyl]carbazole
CID 58536267
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
11-dibenzofuran-2-yl-5-[4-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 171414707
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine (CID 170177073) is 3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2ccc(-c3cccc(CCC(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cnc5oc6ccccc6c5c4)c3)cc2)cc1.
What is the InChIKey of 3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is UPRXIOLGVIZFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2O/c1-2-12-35(13-3-1)36-22-24-37(25-23-36)39-14-10-11-34(31-39)21-30-42(40-32-46-45-17-6-9-20-49(45)53-50(46)51-33-40)38-26-28-41(29-27-38)52-47-18-7-4-15-43(47)44-16-5-8-19-48(44)52/h1-20,22-29,31-33,42H,21,30H2.
What are the key properties of 3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine?
3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 680.85 g/mol, XLogP of 13.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 170177073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).