11,11-dimethyl-6-pyren-1-ylfluoreno[3,2-b][1]benzofuran

C37H24O — CID 169035279

IUPAC11,11-dimethyl-6-pyren-1-ylfluoreno[3,2-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2c1cc1c(oc3ccccc31)c2-c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C37H24O/c1-37(2)29-12-5-3-11-27(29)34-30(37)20-28-24-10-4-6-13-31(24)38-36(28)35(34)26-19-17-23-15-14-21-8-7-9-22-16-18-25(26)33(23)32(21)22/h3-20H,1-2H3
InChIKeyBXVKCUWMBBCLPK-UHFFFAOYSA-N
MW484.60 g/mol
LogP10.46
Rot. Bonds1

About 11,11-dimethyl-6-pyren-1-ylfluoreno[3,2-b][1]benzofuran

11,11-dimethyl-6-pyren-1-ylfluoreno[3,2-b][1]benzofuran (PubChem CID 169035279) has the molecular formula C37H24O and a molecular weight of 484.60 g/mol. Its IUPAC name is 11,11-dimethyl-6-pyren-1-ylfluoreno[3,2-b][1]benzofuran.

Molecular Properties

Compound Name11,11-dimethyl-6-pyren-1-ylfluoreno[3,2-b][1]benzofuran
PubChem CID169035279
Molecular FormulaC37H24O
Molecular Weight484.60 g/mol
Exact Mass484.18
IUPAC Name11,11-dimethyl-6-pyren-1-ylfluoreno[3,2-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2c1cc1c(oc3ccccc31)c2-c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C37H24O/c1-37(2)29-12-5-3-11-27(29)34-30(37)20-28-24-10-4-6-13-31(24)38-36(28)35(34)26-19-17-23-15-14-21-8-7-9-22-16-18-25(26)33(23)32(21)22/h3-20H,1-2H3
InChIKeyBXVKCUWMBBCLPK-UHFFFAOYSA-N
XLogP10.46
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

11,11-dimethyl-6-(6-phenylpyren-1-yl)fluoreno[3,2-b][1]benzofuran
CID 169035157
18,18,21,21-tetramethyl-24-pyren-1-yl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaene
CID 139476744
7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran
CID 122415730
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
1-[6-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-12-yl)pyren-1-yl]dibenzofuran
CID 169035291
5-bromo-7,7-dimethylfluoreno[4,3-b][1]benzofuran;7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 157381043
9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 58219949
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177265135
14-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-12,16-dioxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130190377
19-[5-(9,9-dimethylfluoren-2-yl)benzo[10]annulen-12-yl]-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(22),18,20-undecaene
CID 163592615
9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene
CID 130211750
7,7-dimethyl-4-(5-pyren-1-ylnaphthalen-1-yl)benzo[a]phenalene
CID 171045760

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-6-pyren-1-ylfluoreno[3,2-b][1]benzofuran?
The IUPAC name of 11,11-dimethyl-6-pyren-1-ylfluoreno[3,2-b][1]benzofuran (CID 169035279) is 11,11-dimethyl-6-pyren-1-ylfluoreno[3,2-b][1]benzofuran.
What is the SMILES notation for 11,11-dimethyl-6-pyren-1-ylfluoreno[3,2-b][1]benzofuran?
The canonical SMILES for 11,11-dimethyl-6-pyren-1-ylfluoreno[3,2-b][1]benzofuran is CC1(C)c2ccccc2-c2c1cc1c(oc3ccccc31)c2-c1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of 11,11-dimethyl-6-pyren-1-ylfluoreno[3,2-b][1]benzofuran?
The InChIKey is BXVKCUWMBBCLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24O/c1-37(2)29-12-5-3-11-27(29)34-30(37)20-28-24-10-4-6-13-31(24)38-36(28)35(34)26-19-17-23-15-14-21-8-7-9-22-16-18-25(26)33(23)32(21)22/h3-20H,1-2H3.
What are the key properties of 11,11-dimethyl-6-pyren-1-ylfluoreno[3,2-b][1]benzofuran?
11,11-dimethyl-6-pyren-1-ylfluoreno[3,2-b][1]benzofuran has a molecular weight of 484.60 g/mol, XLogP of 10.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-6-pyren-1-ylfluoreno[3,2-b][1]benzofuran is sourced from PubChem (CID 169035279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).