4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine

C37H41NO — CID 121342810

IUPAC4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine
SMILESCc1cc(-c2c(C)ccc3c2oc2c4c(ccc23)C(CC(C)C)(CC(C)C)c2ccccc2-4)ncc1C(C)C
InChIInChI=1S/C37H41NO/c1-21(2)18-37(19-22(3)4)30-12-10-9-11-28(30)34-31(37)16-15-27-26-14-13-24(7)33(35(26)39-36(27)34)32-17-25(8)29(20-38-32)23(5)6/h9-17,20-23H,18-19H2,1-8H3
InChIKeyHZALGXZKHCXVBM-UHFFFAOYSA-N
MW515.74 g/mol
LogP10.75
Rot. Bonds6

About 4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine

4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine (PubChem CID 121342810) has the molecular formula C37H41NO and a molecular weight of 515.74 g/mol. Its IUPAC name is 4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine.

Molecular Properties

Compound Name4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine
PubChem CID121342810
Molecular FormulaC37H41NO
Molecular Weight515.74 g/mol
Exact Mass515.32
IUPAC Name4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine
SMILESCc1cc(-c2c(C)ccc3c2oc2c4c(ccc23)C(CC(C)C)(CC(C)C)c2ccccc2-4)ncc1C(C)C
InChIInChI=1S/C37H41NO/c1-21(2)18-37(19-22(3)4)30-12-10-9-11-28(30)34-31(37)16-15-27-26-14-13-24(7)33(35(26)39-36(27)34)32-17-25(8)29(20-38-32)23(5)6/h9-17,20-23H,18-19H2,1-8H3
InChIKeyHZALGXZKHCXVBM-UHFFFAOYSA-N
XLogP10.75
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.74
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine with MolForge

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Related Compounds

4-methyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]-5-propan-2-ylpyridine
CID 121342831
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
4,5-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridine
CID 121342970
2-[9-methyl-12,12-bis(2-methylpropyl)fluoreno[1,2-b][1]benzofuran-10-yl]pyridine
CID 121343152
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-methyl-5-propan-2-yl-2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
CID 121343005
4-propan-2-yl-2-(2,7,7-trimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine
CID 121343120
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
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
4,5-dimethyl-2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine
CID 121342967
1,4-dimethyl-2-[3-methyl-11,11-bis(2-methylpropyl)fluoreno[3,2-b][1]benzofuran-4-yl]pyridin-1-ium
CID 155648722
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine?
The IUPAC name of 4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine (CID 121342810) is 4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine.
What is the SMILES notation for 4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine?
The canonical SMILES for 4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine is Cc1cc(-c2c(C)ccc3c2oc2c4c(ccc23)C(CC(C)C)(CC(C)C)c2ccccc2-4)ncc1C(C)C.
What is the InChIKey of 4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine?
The InChIKey is HZALGXZKHCXVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41NO/c1-21(2)18-37(19-22(3)4)30-12-10-9-11-28(30)34-31(37)16-15-27-26-14-13-24(7)33(35(26)39-36(27)34)32-17-25(8)29(20-38-32)23(5)6/h9-17,20-23H,18-19H2,1-8H3.
What are the key properties of 4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine?
4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine has a molecular weight of 515.74 g/mol, XLogP of 10.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-methyl-7,7-bis(2-methylpropyl)fluoreno[4,3-b][1]benzofuran-1-yl]-5-propan-2-ylpyridine is sourced from PubChem (CID 121342810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).