4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine

C37H27NO — CID 166575689

IUPAC4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
SMILESCC(c1ccccc1)c1ccnc(-c2cccc3c2oc2ccc(-c4ccc(-c5ccccc5)cc4)cc23)c1
InChIInChI=1S/C37H27NO/c1-25(26-9-4-2-5-10-26)30-21-22-38-35(24-30)33-14-8-13-32-34-23-31(19-20-36(34)39-37(32)33)29-17-15-28(16-18-29)27-11-6-3-7-12-27/h2-25H,1H3
InChIKeyZREMTYUKUDZNBK-UHFFFAOYSA-N
MW501.63 g/mol
LogP10.13
Rot. Bonds5

About 4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine

4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine (PubChem CID 166575689) has the molecular formula C37H27NO and a molecular weight of 501.63 g/mol. Its IUPAC name is 4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine.

Molecular Properties

Compound Name4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
PubChem CID166575689
Molecular FormulaC37H27NO
Molecular Weight501.63 g/mol
Exact Mass501.21
IUPAC Name4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
SMILESCC(c1ccccc1)c1ccnc(-c2cccc3c2oc2ccc(-c4ccc(-c5ccccc5)cc4)cc23)c1
InChIInChI=1S/C37H27NO/c1-25(26-9-4-2-5-10-26)30-21-22-38-35(24-30)33-14-8-13-32-34-23-31(19-20-36(34)39-37(32)33)29-17-15-28(16-18-29)27-11-6-3-7-12-27/h2-25H,1H3
InChIKeyZREMTYUKUDZNBK-UHFFFAOYSA-N
XLogP10.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
CID 162707337
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine
CID 155610525
2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran
CID 174178018
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166577199
4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyrimidine
CID 166952923
4-[4-[1-(4-phenylphenyl)ethyl]phenyl]dibenzofuran
CID 174178014
8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155611435
8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile
CID 162709674
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine
CID 166574655

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine?
The IUPAC name of 4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine (CID 166575689) is 4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine.
What is the SMILES notation for 4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine?
The canonical SMILES for 4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine is CC(c1ccccc1)c1ccnc(-c2cccc3c2oc2ccc(-c4ccc(-c5ccccc5)cc4)cc23)c1.
What is the InChIKey of 4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine?
The InChIKey is ZREMTYUKUDZNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NO/c1-25(26-9-4-2-5-10-26)30-21-22-38-35(24-30)33-14-8-13-32-34-23-31(19-20-36(34)39-37(32)33)29-17-15-28(16-18-29)27-11-6-3-7-12-27/h2-25H,1H3.
What are the key properties of 4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine?
4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine has a molecular weight of 501.63 g/mol, XLogP of 10.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine is sourced from PubChem (CID 166575689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).