4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine

C31H29NO — CID 121343005

IUPAC4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
SMILESCc1cc(-c2c(C)ccc3c2oc2ccc4c(c23)C(C)(C)c2ccccc2-4)ncc1C(C)C
InChIInChI=1S/C31H29NO/c1-17(2)23-16-32-25(15-19(23)4)27-18(3)11-12-22-28-26(33-30(22)27)14-13-21-20-9-7-8-10-24(20)31(5,6)29(21)28/h7-17H,1-6H3
InChIKeyUYZMZZWMWRCSEB-UHFFFAOYSA-N
MW431.58 g/mol
LogP8.69
Rot. Bonds2

About 4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine

4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine (PubChem CID 121343005) has the molecular formula C31H29NO and a molecular weight of 431.58 g/mol. Its IUPAC name is 4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine.

Molecular Properties

Compound Name4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
PubChem CID121343005
Molecular FormulaC31H29NO
Molecular Weight431.58 g/mol
Exact Mass431.22
IUPAC Name4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
SMILESCc1cc(-c2c(C)ccc3c2oc2ccc4c(c23)C(C)(C)c2ccccc2-4)ncc1C(C)C
InChIInChI=1S/C31H29NO/c1-17(2)23-16-32-25(15-19(23)4)27-18(3)11-12-22-28-26(33-30(22)27)14-13-21-20-9-7-8-10-24(20)31(5,6)29(21)28/h7-17H,1-6H3
InChIKeyUYZMZZWMWRCSEB-UHFFFAOYSA-N
XLogP8.69
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
CID 121342988
7,14,14-trimethyl-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-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
CID 121343099
4,5-dimethyl-2-(3'-methylspiro[cyclopentane-1,12'-fluoreno[2,1-b][1]benzofuran]-4'-yl)pyridine
CID 121342774
4-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-5-propan-2-ylpyridine
CID 121342831
4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine
CID 121342810
4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine
CID 121342967
4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine
CID 121342970
4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine
CID 121343120
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-propan-2-yl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium
CID 155648800
2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine
CID 121343152
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 4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine?
The IUPAC name of 4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine (CID 121343005) is 4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine.
What is the SMILES notation for 4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine?
The canonical SMILES for 4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine is Cc1cc(-c2c(C)ccc3c2oc2ccc4c(c23)C(C)(C)c2ccccc2-4)ncc1C(C)C.
What is the InChIKey of 4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine?
The InChIKey is UYZMZZWMWRCSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO/c1-17(2)23-16-32-25(15-19(23)4)27-18(3)11-12-22-28-26(33-30(22)27)14-13-21-20-9-7-8-10-24(20)31(5,6)29(21)28/h7-17H,1-6H3.
What are the key properties of 4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine?
4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine has a molecular weight of 431.58 g/mol, XLogP of 8.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine is sourced from PubChem (CID 121343005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).