2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine

C27H21NO — CID 121342988

IUPAC2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
SMILESCc1ccc2c(oc3ccc4c(c32)C(C)(C)c2ccccc2-4)c1-c1ccccn1
InChIInChI=1S/C27H21NO/c1-16-11-12-19-24-22(29-26(19)23(16)21-10-6-7-15-28-21)14-13-18-17-8-4-5-9-20(17)27(2,3)25(18)24/h4-15H,1-3H3
InChIKeyIGVQJKJBDGCDNU-UHFFFAOYSA-N
MW375.47 g/mol
LogP7.26
Rot. Bonds1

About 2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine

2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine (PubChem CID 121342988) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine.

Molecular Properties

Compound Name2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
PubChem CID121342988
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC Name2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
SMILESCc1ccc2c(oc3ccc4c(c32)C(C)(C)c2ccccc2-4)c1-c1ccccn1
InChIInChI=1S/C27H21NO/c1-16-11-12-19-24-22(29-26(19)23(16)21-10-6-7-15-28-21)14-13-18-17-8-4-5-9-20(17)27(2,3)25(18)24/h4-15H,1-3H3
InChIKeyIGVQJKJBDGCDNU-UHFFFAOYSA-N
XLogP7.26
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
CID 121343005
2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine
CID 121342984
2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine
CID 121343152
4,5-dimethyl-2-(3'-methylspiro[cyclopentane-1,12'-fluoreno[2,1-b][1]benzofuran]-4'-yl)pyridine
CID 121342774
2-(3-methyldibenzofuran-4-yl)pyridine
CID 118074682
23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 118545802
6,20,20-trimethyl-7-(1-methylpyridin-1-ium-2-yl)-9-oxa-11-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaene
CID 154007172
1-methyl-4,5-bis(trideuteriomethyl)-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridin-1-ium;1-methyl-2-[6-methyl-14,14-bis(trideuteriomethyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl]-4,5-bis(trideuteriomethyl)pyridin-1-ium;7-methyl-8-[1-methyl-4,5-bis(trideuteriomethyl)pyridin-1-ium-2-yl]-14,14-bis(trideuteriomethyl)-10-oxa-12-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;17-methyl-18-[1-methyl-4,5-bis(trideuteriomethyl)pyridin-1-ium-2-yl]-9,9-bis(trideuteriomethyl)-20-oxa-7-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 158247582
7,7-dimethylfluoreno[2,3-b][1]benzofuran;7,7-dimethylfluoreno[4,3-b][1]benzofuran;12,12-dimethylfluoreno[1,2-b][1]benzofuran;12,12-dimethylfluoreno[2,1-b][1]benzofuran
CID 159580171
4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine
CID 121343120
3,3-dimethyl-22-[3-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 130185973
1-methyl-2-(6,14,14-trimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)pyridin-1-ium
CID 155648798

Frequently Asked Questions

What is the IUPAC name of 2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine?
The IUPAC name of 2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine (CID 121342988) is 2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine.
What is the SMILES notation for 2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine?
The canonical SMILES for 2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine is Cc1ccc2c(oc3ccc4c(c32)C(C)(C)c2ccccc2-4)c1-c1ccccn1.
What is the InChIKey of 2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine?
The InChIKey is IGVQJKJBDGCDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO/c1-16-11-12-19-24-22(29-26(19)23(16)21-10-6-7-15-28-21)14-13-18-17-8-4-5-9-20(17)27(2,3)25(18)24/h4-15H,1-3H3.
What are the key properties of 2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine?
2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine has a molecular weight of 375.47 g/mol, XLogP of 7.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine is sourced from PubChem (CID 121342988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).