3-(2-phenylpropan-2-yl)-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine

C34H30N2O — CID 162708057

IUPAC3-(2-phenylpropan-2-yl)-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine
SMILESCc1cc(C)c(-c2ccnc(-c3cccc4c3oc3cnc(C(C)(C)c5ccccc5)cc34)c2)c(C)c1
InChIInChI=1S/C34H30N2O/c1-21-16-22(2)32(23(3)17-21)24-14-15-35-29(18-24)27-13-9-12-26-28-19-31(36-20-30(28)37-33(26)27)34(4,5)25-10-7-6-8-11-25/h6-20H,1-5H3
InChIKeyBJJSTIFKYIGPGH-UHFFFAOYSA-N
MW482.63 g/mol
LogP8.96
Rot. Bonds4

About 3-(2-phenylpropan-2-yl)-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine

3-(2-phenylpropan-2-yl)-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 162708057) has the molecular formula C34H30N2O and a molecular weight of 482.63 g/mol. Its IUPAC name is 3-(2-phenylpropan-2-yl)-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name3-(2-phenylpropan-2-yl)-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine
PubChem CID162708057
Molecular FormulaC34H30N2O
Molecular Weight482.63 g/mol
Exact Mass482.24
IUPAC Name3-(2-phenylpropan-2-yl)-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine
SMILESCc1cc(C)c(-c2ccnc(-c3cccc4c3oc3cnc(C(C)(C)c5ccccc5)cc34)c2)c(C)c1
InChIInChI=1S/C34H30N2O/c1-21-16-22(2)32(23(3)17-21)24-14-15-35-29(18-24)27-13-9-12-26-28-19-31(36-20-30(28)37-33(26)27)34(4,5)25-10-7-6-8-11-25/h6-20H,1-5H3
InChIKeyBJJSTIFKYIGPGH-UHFFFAOYSA-N
XLogP8.96
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-phenylpropan-2-yl)-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine with MolForge

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Related Compounds

2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
2-(6-methyldibenzofuran-4-yl)-4-phenylpyridine
CID 140775821
2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
CID 166574499
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-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine
CID 155610525
CID 174062519
CID 174062519
4-tert-butyl-2-[14-(2,4,6-trimethylphenyl)-10,21-dioxa-14-borapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]pyridine
CID 169301862
2-methyl-8-[4-(2-methyl-4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176779070
6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine
CID 155610480
4-(2-phenylpropan-2-yl)-2-(6-propan-2-yldibenzofuran-4-yl)pyridine
CID 162708532

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylpropan-2-yl)-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 3-(2-phenylpropan-2-yl)-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine (CID 162708057) is 3-(2-phenylpropan-2-yl)-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 3-(2-phenylpropan-2-yl)-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 3-(2-phenylpropan-2-yl)-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine is Cc1cc(C)c(-c2ccnc(-c3cccc4c3oc3cnc(C(C)(C)c5ccccc5)cc34)c2)c(C)c1.
What is the InChIKey of 3-(2-phenylpropan-2-yl)-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is BJJSTIFKYIGPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2O/c1-21-16-22(2)32(23(3)17-21)24-14-15-35-29(18-24)27-13-9-12-26-28-19-31(36-20-30(28)37-33(26)27)34(4,5)25-10-7-6-8-11-25/h6-20H,1-5H3.
What are the key properties of 3-(2-phenylpropan-2-yl)-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine?
3-(2-phenylpropan-2-yl)-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 482.63 g/mol, XLogP of 8.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylpropan-2-yl)-8-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 162708057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).