2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine

C33H27NO — CID 169038662

IUPAC2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine
SMILESCC(C)c1ccnc(-c2ccc3oc4ccc(-c5cccc(Cc6ccccc6)c5)cc4c3c2)c1
InChIInChI=1S/C33H27NO/c1-22(2)25-15-16-34-31(21-25)28-12-14-33-30(20-28)29-19-27(11-13-32(29)35-33)26-10-6-9-24(18-26)17-23-7-4-3-5-8-23/h3-16,18-22H,17H2,1-2H3
InChIKeyPOJWILUKLYBGER-UHFFFAOYSA-N
MW453.59 g/mol
LogP9.03
Rot. Bonds5

About 2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine

2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine (PubChem CID 169038662) has the molecular formula C33H27NO and a molecular weight of 453.59 g/mol. Its IUPAC name is 2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine
PubChem CID169038662
Molecular FormulaC33H27NO
Molecular Weight453.59 g/mol
Exact Mass453.21
IUPAC Name2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine
SMILESCC(C)c1ccnc(-c2ccc3oc4ccc(-c5cccc(Cc6ccccc6)c5)cc4c3c2)c1
InChIInChI=1S/C33H27NO/c1-22(2)25-15-16-34-31(21-25)28-12-14-33-30(20-28)29-19-27(11-13-32(29)35-33)26-10-6-9-24(18-26)17-23-7-4-3-5-8-23/h3-16,18-22H,17H2,1-2H3
InChIKeyPOJWILUKLYBGER-UHFFFAOYSA-N
XLogP9.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine
CID 162707121
4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155611009
1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 162709173
2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
CID 162710331
2-phenyl-8-(4-propan-2-ylphenyl)dibenzofuran
CID 67964002
4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine
CID 166574655
4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine
CID 163739130
4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 166578236
2-(9-benzyldibenzofuran-2-yl)-4-fluoropyridine
CID 162707230
8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile
CID 162709674
2-(7-benzyl-1-methyldibenzofuran-4-yl)-4-propan-2-ylpyridine
CID 162708417
4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155610550

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine?
The IUPAC name of 2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine (CID 169038662) is 2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine.
What is the SMILES notation for 2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine?
The canonical SMILES for 2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine is CC(C)c1ccnc(-c2ccc3oc4ccc(-c5cccc(Cc6ccccc6)c5)cc4c3c2)c1.
What is the InChIKey of 2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine?
The InChIKey is POJWILUKLYBGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27NO/c1-22(2)25-15-16-34-31(21-25)28-12-14-33-30(20-28)29-19-27(11-13-32(29)35-33)26-10-6-9-24(18-26)17-23-7-4-3-5-8-23/h3-16,18-22H,17H2,1-2H3.
What are the key properties of 2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine?
2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine has a molecular weight of 453.59 g/mol, XLogP of 9.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine is sourced from PubChem (CID 169038662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).