2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine

C33H33NO — CID 121343152

IUPAC2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine
SMILESCc1ccc2c(oc3c4c(ccc32)-c2ccccc2C4(CC(C)C)CC(C)C)c1-c1ccccn1
InChIInChI=1S/C33H33NO/c1-20(2)18-33(19-21(3)4)27-11-7-6-10-23(27)24-15-16-26-25-14-13-22(5)29(28-12-8-9-17-34-28)31(25)35-32(26)30(24)33/h6-17,20-21H,18-19H2,1-5H3
InChIKeyKDBNSKGBWIZQLR-UHFFFAOYSA-N
MW459.63 g/mol
LogP9.32
Rot. Bonds5

About 2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine

2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine (PubChem CID 121343152) has the molecular formula C33H33NO and a molecular weight of 459.63 g/mol. Its IUPAC name is 2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine.

Molecular Properties

Compound Name2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine
PubChem CID121343152
Molecular FormulaC33H33NO
Molecular Weight459.63 g/mol
Exact Mass459.26
IUPAC Name2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine
SMILESCc1ccc2c(oc3c4c(ccc32)-c2ccccc2C4(CC(C)C)CC(C)C)c1-c1ccccn1
InChIInChI=1S/C33H33NO/c1-20(2)18-33(19-21(3)4)27-11-7-6-10-23(27)24-15-16-26-25-14-13-22(5)29(28-12-8-9-17-34-28)31(25)35-32(26)30(24)33/h6-17,20-21H,18-19H2,1-5H3
InChIKeyKDBNSKGBWIZQLR-UHFFFAOYSA-N
XLogP9.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine with MolForge

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Related Compounds

7-methyl-14,14-bis(2-methylpropyl)-8-pyridin-2-yl-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 121342998
2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine
CID 121342984
2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
CID 121342988
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-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine
CID 121342970
4-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-5-propan-2-ylpyridine
CID 121342831
4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine
CID 121342967
2-(3-methyldibenzofuran-4-yl)pyridine
CID 118074682
methane;1,4,5-trimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium;1,4,5-trimethyl-2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridin-1-ium;1,4,5-trimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridin-1-ium;1,4,5-trimethyl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium;1,4,5-trimethyl-2-(9,12,12-trimethylfluoreno[1,2-b][1]benzofuran-10-yl)pyridin-1-ium
CID 160590148
4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine
CID 121343120
1,4-dimethyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridin-1-ium
CID 155648913
1,4-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium
CID 155648722

Frequently Asked Questions

What is the IUPAC name of 2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine?
The IUPAC name of 2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine (CID 121343152) is 2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine.
What is the SMILES notation for 2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine?
The canonical SMILES for 2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine is Cc1ccc2c(oc3c4c(ccc32)-c2ccccc2C4(CC(C)C)CC(C)C)c1-c1ccccn1.
What is the InChIKey of 2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine?
The InChIKey is KDBNSKGBWIZQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33NO/c1-20(2)18-33(19-21(3)4)27-11-7-6-10-23(27)24-15-16-26-25-14-13-22(5)29(28-12-8-9-17-34-28)31(25)35-32(26)30(24)33/h6-17,20-21H,18-19H2,1-5H3.
What are the key properties of 2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine?
2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine has a molecular weight of 459.63 g/mol, XLogP of 9.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine is sourced from PubChem (CID 121343152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).