4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine

C30H27NO — CID 121343120

IUPAC4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine
SMILESCc1ccc2c(oc3c4c(ccc32)C(C)(C)c2ccccc2-4)c1-c1cc(C(C)C)ccn1
InChIInChI=1S/C30H27NO/c1-17(2)19-14-15-31-25(16-19)26-18(3)10-11-20-21-12-13-24-27(29(21)32-28(20)26)22-8-6-7-9-23(22)30(24,4)5/h6-17H,1-5H3
InChIKeyWMXWGDVQDAHYTR-UHFFFAOYSA-N
MW417.55 g/mol
LogP8.39
Rot. Bonds2

About 4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine

4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine (PubChem CID 121343120) has the molecular formula C30H27NO and a molecular weight of 417.55 g/mol. Its IUPAC name is 4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine.

Molecular Properties

Compound Name4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine
PubChem CID121343120
Molecular FormulaC30H27NO
Molecular Weight417.55 g/mol
Exact Mass417.21
IUPAC Name4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine
SMILESCc1ccc2c(oc3c4c(ccc32)C(C)(C)c2ccccc2-4)c1-c1cc(C(C)C)ccn1
InChIInChI=1S/C30H27NO/c1-17(2)19-14-15-31-25(16-19)26-18(3)10-11-20-21-12-13-24-27(29(21)32-28(20)26)22-8-6-7-9-23(22)30(24,4)5/h6-17H,1-5H3
InChIKeyWMXWGDVQDAHYTR-UHFFFAOYSA-N
XLogP8.39
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9,17-trimethyl-18-(4-propan-2-yl-2-pyridinyl)-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 121342910
9,9,17-trimethyl-18-(5-methyl-2-pyridinyl)-20-oxa-6-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 121343071
18-(4,5-dimethyl-2-pyridinyl)-9,9,17-trimethyl-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 121342815
4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine
CID 121342810
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
2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
CID 121342988
1-methyl-4-propan-2-yl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium
CID 155648800
18-[4-(2-deuteriopropan-2-yl)-1-methylpyridin-1-ium-2-yl]-17-methyl-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 155648844
4-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
CID 121343005
2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine
CID 121343152
trimethyl-[4-phenyl-6-(4-propan-2-yl-2-pyridinyl)dibenzofuran-3-yl]germane
CID 164832486
CID 147342280
CID 147342280

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine?
The IUPAC name of 4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine (CID 121343120) is 4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine.
What is the SMILES notation for 4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine?
The canonical SMILES for 4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine is Cc1ccc2c(oc3c4c(ccc32)C(C)(C)c2ccccc2-4)c1-c1cc(C(C)C)ccn1.
What is the InChIKey of 4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine?
The InChIKey is WMXWGDVQDAHYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO/c1-17(2)19-14-15-31-25(16-19)26-18(3)10-11-20-21-12-13-24-27(29(21)32-28(20)26)22-8-6-7-9-23(22)30(24,4)5/h6-17H,1-5H3.
What are the key properties of 4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine?
4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine has a molecular weight of 417.55 g/mol, XLogP of 8.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine is sourced from PubChem (CID 121343120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).