6-(10-cyclohex-3-en-1-ylanthracen-9-yl)-6b,11,11-trimethyl-12-phenyl-6a,10a-dihydro-6H-fluoreno[3,2-b][1]benzofuran

C48H42O — CID 130241074

IUPAC6-(10-cyclohex-3-en-1-ylanthracen-9-yl)-6b,11,11-trimethyl-12-phenyl-6a,10a-dihydro-6H-fluoreno[3,2-b][1]benzofuran
SMILESCC1(C)C2=C(c3ccccc3)c3c(oc4ccccc34)C(c3c4ccccc4c(C4CC=CCC4)c4ccccc34)C2C2(C)C=CC=CC12
InChIInChI=1S/C48H42O/c1-47(2)38-28-16-17-29-48(38,3)45-43(46-42(36-26-14-15-27-37(36)49-46)40(44(45)47)31-20-8-5-9-21-31)41-34-24-12-10-22-32(34)39(30-18-6-4-7-19-30)33-23-11-13-25-35(33)41/h4-6,8-17,20-30,38,43,45H,7,18-19H2,1-3H3
InChIKeyASLFILHCIWKXGU-UHFFFAOYSA-N
MW634.86 g/mol
LogP12.91
Rot. Bonds3

About 6-(10-cyclohex-3-en-1-ylanthracen-9-yl)-6b,11,11-trimethyl-12-phenyl-6a,10a-dihydro-6H-fluoreno[3,2-b][1]benzofuran

6-(10-cyclohex-3-en-1-ylanthracen-9-yl)-6b,11,11-trimethyl-12-phenyl-6a,10a-dihydro-6H-fluoreno[3,2-b][1]benzofuran (PubChem CID 130241074) has the molecular formula C48H42O and a molecular weight of 634.86 g/mol. Its IUPAC name is 6-(10-cyclohex-3-en-1-ylanthracen-9-yl)-6b,11,11-trimethyl-12-phenyl-6a,10a-dihydro-6H-fluoreno[3,2-b][1]benzofuran.

Molecular Properties

Compound Name6-(10-cyclohex-3-en-1-ylanthracen-9-yl)-6b,11,11-trimethyl-12-phenyl-6a,10a-dihydro-6H-fluoreno[3,2-b][1]benzofuran
PubChem CID130241074
Molecular FormulaC48H42O
Molecular Weight634.86 g/mol
Exact Mass634.32
IUPAC Name6-(10-cyclohex-3-en-1-ylanthracen-9-yl)-6b,11,11-trimethyl-12-phenyl-6a,10a-dihydro-6H-fluoreno[3,2-b][1]benzofuran
SMILESCC1(C)C2=C(c3ccccc3)c3c(oc4ccccc34)C(c3c4ccccc4c(C4CC=CCC4)c4ccccc34)C2C2(C)C=CC=CC12
InChIInChI=1S/C48H42O/c1-47(2)38-28-16-17-29-48(38,3)45-43(46-42(36-26-14-15-27-37(36)49-46)40(44(45)47)31-20-8-5-9-21-31)41-34-24-12-10-22-32(34)39(30-18-6-4-7-19-30)33-23-11-13-25-35(33)41/h4-6,8-17,20-30,38,43,45H,7,18-19H2,1-3H3
InChIKeyASLFILHCIWKXGU-UHFFFAOYSA-N
XLogP12.91
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.86
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 101413189
9,15-dibromospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-2(11),3,5,7,9,14,16(24),17,19,21-decaene-12,9'-4a,9a-dihydrofluorene]
CID 145010501
4-(2-methyl-1-benzofuran-3-yl)aniline
CID 116987369
4-cyclopropyl-3-phenyl-2-propan-2-ylisoquinolin-1-one
CID 71531403
CID 59413465
CID 59413465
N-(4'b-methylspiro[4b,8a-dihydrofluorene-9,9'-8a,9a-dihydro-4aH-fluorene]-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-2,3,4b,8a-tetrahydrofluorene]-2-yldibenzofuran-1-amine
CID 166957318
2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)-1,3,5-triazine
CID 155443179
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CID 13196582
[4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine
CID 116987372
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[14-(4-methylphenyl)-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaenyl]phenyl]-4-phenylaniline
CID 146414892
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
CID 103859199

Frequently Asked Questions

What is the IUPAC name of 6-(10-cyclohex-3-en-1-ylanthracen-9-yl)-6b,11,11-trimethyl-12-phenyl-6a,10a-dihydro-6H-fluoreno[3,2-b][1]benzofuran?
The IUPAC name of 6-(10-cyclohex-3-en-1-ylanthracen-9-yl)-6b,11,11-trimethyl-12-phenyl-6a,10a-dihydro-6H-fluoreno[3,2-b][1]benzofuran (CID 130241074) is 6-(10-cyclohex-3-en-1-ylanthracen-9-yl)-6b,11,11-trimethyl-12-phenyl-6a,10a-dihydro-6H-fluoreno[3,2-b][1]benzofuran.
What is the SMILES notation for 6-(10-cyclohex-3-en-1-ylanthracen-9-yl)-6b,11,11-trimethyl-12-phenyl-6a,10a-dihydro-6H-fluoreno[3,2-b][1]benzofuran?
The canonical SMILES for 6-(10-cyclohex-3-en-1-ylanthracen-9-yl)-6b,11,11-trimethyl-12-phenyl-6a,10a-dihydro-6H-fluoreno[3,2-b][1]benzofuran is CC1(C)C2=C(c3ccccc3)c3c(oc4ccccc34)C(c3c4ccccc4c(C4CC=CCC4)c4ccccc34)C2C2(C)C=CC=CC12.
What is the InChIKey of 6-(10-cyclohex-3-en-1-ylanthracen-9-yl)-6b,11,11-trimethyl-12-phenyl-6a,10a-dihydro-6H-fluoreno[3,2-b][1]benzofuran?
The InChIKey is ASLFILHCIWKXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42O/c1-47(2)38-28-16-17-29-48(38,3)45-43(46-42(36-26-14-15-27-37(36)49-46)40(44(45)47)31-20-8-5-9-21-31)41-34-24-12-10-22-32(34)39(30-18-6-4-7-19-30)33-23-11-13-25-35(33)41/h4-6,8-17,20-30,38,43,45H,7,18-19H2,1-3H3.
What are the key properties of 6-(10-cyclohex-3-en-1-ylanthracen-9-yl)-6b,11,11-trimethyl-12-phenyl-6a,10a-dihydro-6H-fluoreno[3,2-b][1]benzofuran?
6-(10-cyclohex-3-en-1-ylanthracen-9-yl)-6b,11,11-trimethyl-12-phenyl-6a,10a-dihydro-6H-fluoreno[3,2-b][1]benzofuran has a molecular weight of 634.86 g/mol, XLogP of 12.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-cyclohex-3-en-1-ylanthracen-9-yl)-6b,11,11-trimethyl-12-phenyl-6a,10a-dihydro-6H-fluoreno[3,2-b][1]benzofuran is sourced from PubChem (CID 130241074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).