1-(4-phenylphenyl)-2-[4-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]dibenzofuran-2-yl]-1-pyridin-2-ylethanol

C50H39N3O2 — CID 171052701

IUPAC1-(4-phenylphenyl)-2-[4-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]dibenzofuran-2-yl]-1-pyridin-2-ylethanol
SMILESCC(Cc1cccc(-c2cc(CC(O)(c3ccc(-c4ccccc4)cc3)c3ccccn3)cc3c2oc2ccccc23)n1)(c1ccccc1)c1ccccn1
InChIInChI=1S/C50H39N3O2/c1-49(38-17-6-3-7-18-38,46-23-10-12-29-51-46)34-40-19-14-21-44(53-40)43-32-35(31-42-41-20-8-9-22-45(41)55-48(42)43)33-50(54,47-24-11-13-30-52-47)39-27-25-37(26-28-39)36-15-4-2-5-16-36/h2-32,54H,33-34H2,1H3
InChIKeyOSFVGYGOXQYBFZ-UHFFFAOYSA-N
MW713.88 g/mol
LogP11.13
Rot. Bonds10

About 1-(4-phenylphenyl)-2-[4-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]dibenzofuran-2-yl]-1-pyridin-2-ylethanol

1-(4-phenylphenyl)-2-[4-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]dibenzofuran-2-yl]-1-pyridin-2-ylethanol (PubChem CID 171052701) has the molecular formula C50H39N3O2 and a molecular weight of 713.88 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-2-[4-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]dibenzofuran-2-yl]-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name1-(4-phenylphenyl)-2-[4-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]dibenzofuran-2-yl]-1-pyridin-2-ylethanol
PubChem CID171052701
Molecular FormulaC50H39N3O2
Molecular Weight713.88 g/mol
Exact Mass713.30
IUPAC Name1-(4-phenylphenyl)-2-[4-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]dibenzofuran-2-yl]-1-pyridin-2-ylethanol
SMILESCC(Cc1cccc(-c2cc(CC(O)(c3ccc(-c4ccccc4)cc3)c3ccccn3)cc3c2oc2ccccc23)n1)(c1ccccc1)c1ccccn1
InChIInChI=1S/C50H39N3O2/c1-49(38-17-6-3-7-18-38,46-23-10-12-29-51-46)34-40-19-14-21-44(53-40)43-32-35(31-42-41-20-8-9-22-45(41)55-48(42)43)33-50(54,47-24-11-13-30-52-47)39-27-25-37(26-28-39)36-15-4-2-5-16-36/h2-32,54H,33-34H2,1H3
InChIKeyOSFVGYGOXQYBFZ-UHFFFAOYSA-N
XLogP11.13
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 511.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-phenylphenyl)-2-[8-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-6-yl]-1-pyridin-2-ylethanol
CID 171052708
2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[8-(3-phenyl-3-pyridin-2-ylbutyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridine
CID 162495577
4-(2,2-dimethylpropyl)-2-[6-[1-[3-(4-phenylphenyl)phenyl]-1-pyridin-2-ylethyl]-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl]-6-(1-phenyl-1-pyridin-2-ylethyl)pyridine
CID 162495557
2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine
CID 162495590
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958
4-(4-tert-butylphenyl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)pyridine
CID 166043906
4-dibenzofuran-4-yl-6-(3,5-diphenylphenyl)pyrimidine
CID 155078226
2-[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]pyridine
CID 153423338
2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
CID 140874084
4-[3-[6-(4-tert-butylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273611
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,3,5-triazine
CID 134180001

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-2-[4-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]dibenzofuran-2-yl]-1-pyridin-2-ylethanol?
The IUPAC name of 1-(4-phenylphenyl)-2-[4-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]dibenzofuran-2-yl]-1-pyridin-2-ylethanol (CID 171052701) is 1-(4-phenylphenyl)-2-[4-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]dibenzofuran-2-yl]-1-pyridin-2-ylethanol.
What is the SMILES notation for 1-(4-phenylphenyl)-2-[4-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]dibenzofuran-2-yl]-1-pyridin-2-ylethanol?
The canonical SMILES for 1-(4-phenylphenyl)-2-[4-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]dibenzofuran-2-yl]-1-pyridin-2-ylethanol is CC(Cc1cccc(-c2cc(CC(O)(c3ccc(-c4ccccc4)cc3)c3ccccn3)cc3c2oc2ccccc23)n1)(c1ccccc1)c1ccccn1.
What is the InChIKey of 1-(4-phenylphenyl)-2-[4-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]dibenzofuran-2-yl]-1-pyridin-2-ylethanol?
The InChIKey is OSFVGYGOXQYBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39N3O2/c1-49(38-17-6-3-7-18-38,46-23-10-12-29-51-46)34-40-19-14-21-44(53-40)43-32-35(31-42-41-20-8-9-22-45(41)55-48(42)43)33-50(54,47-24-11-13-30-52-47)39-27-25-37(26-28-39)36-15-4-2-5-16-36/h2-32,54H,33-34H2,1H3.
What are the key properties of 1-(4-phenylphenyl)-2-[4-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]dibenzofuran-2-yl]-1-pyridin-2-ylethanol?
1-(4-phenylphenyl)-2-[4-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]dibenzofuran-2-yl]-1-pyridin-2-ylethanol has a molecular weight of 713.88 g/mol, XLogP of 11.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-2-[4-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]dibenzofuran-2-yl]-1-pyridin-2-ylethanol is sourced from PubChem (CID 171052701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).