4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine

C31H29NO — CID 166574902

IUPAC4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine
SMILESCC(C)(c1ccnc(-c2ccc3oc4cccc(-c5ccccc5)c4c3c2)c1)C1CCCC1
InChIInChI=1S/C31H29NO/c1-31(2,23-11-6-7-12-23)24-17-18-32-27(20-24)22-15-16-28-26(19-22)30-25(13-8-14-29(30)33-28)21-9-4-3-5-10-21/h3-5,8-10,13-20,23H,6-7,11-12H2,1-2H3
InChIKeyPUCJFMPRKGYSFZ-UHFFFAOYSA-N
MW431.58 g/mol
LogP8.78
Rot. Bonds4

About 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine

4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine (PubChem CID 166574902) has the molecular formula C31H29NO and a molecular weight of 431.58 g/mol. Its IUPAC name is 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine.

Molecular Properties

Compound Name4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine
PubChem CID166574902
Molecular FormulaC31H29NO
Molecular Weight431.58 g/mol
Exact Mass431.22
IUPAC Name4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine
SMILESCC(C)(c1ccnc(-c2ccc3oc4cccc(-c5ccccc5)c4c3c2)c1)C1CCCC1
InChIInChI=1S/C31H29NO/c1-31(2,23-11-6-7-12-23)24-17-18-32-27(20-24)22-15-16-28-26(19-22)30-25(13-8-14-29(30)33-28)21-9-4-3-5-10-21/h3-5,8-10,13-20,23H,6-7,11-12H2,1-2H3
InChIKeyPUCJFMPRKGYSFZ-UHFFFAOYSA-N
XLogP8.78
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039063
4-(2-cyclopentylpropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166577128
4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155610550
2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine
CID 140814590
4-(2-cyclopentylpropan-2-yl)-2-[9-(2-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166577576
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9-phenyldibenzofuran-3-yl)pyridine
CID 166573930
2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-dibenzofuran-1-ylphenyl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(4-tert-butyl-2-pyridinyl)-2-dibenzofuran-1-ylphenyl]phenyl]phenyl]phenyl]-3-dibenzofuran-1-ylphenyl]-4-tert-butylpyridine
CID 153448961
2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-yl)-4-(2-phenylpropan-2-yl)pyridine
CID 162707939
2-(3-methylphenyl)-4-[4-[8-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 138600966
4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166573593
19-(4-tert-butyl-2-pyridinyl)-10-oxa-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16(21),17,19,22(26),23-dodecaene
CID 164803201
2-phenyl-4-(3-phenylphenyl)-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952469

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine?
The IUPAC name of 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine (CID 166574902) is 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine.
What is the SMILES notation for 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine?
The canonical SMILES for 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine is CC(C)(c1ccnc(-c2ccc3oc4cccc(-c5ccccc5)c4c3c2)c1)C1CCCC1.
What is the InChIKey of 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine?
The InChIKey is PUCJFMPRKGYSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO/c1-31(2,23-11-6-7-12-23)24-17-18-32-27(20-24)22-15-16-28-26(19-22)30-25(13-8-14-29(30)33-28)21-9-4-3-5-10-21/h3-5,8-10,13-20,23H,6-7,11-12H2,1-2H3.
What are the key properties of 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine?
4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine has a molecular weight of 431.58 g/mol, XLogP of 8.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine is sourced from PubChem (CID 166574902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).