11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran

C47H32O — CID 129254631

IUPAC11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2c1c(-c1ccccc1)c1c(oc3ccccc31)c2-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C47H32O/c1-47(2)37-27-15-13-25-35(37)42-44(46-43(36-26-14-16-28-38(36)48-46)40(45(42)47)30-19-7-4-8-20-30)41-33-23-11-9-21-31(33)39(29-17-5-3-6-18-29)32-22-10-12-24-34(32)41/h3-28H,1-2H3
InChIKeyWYHSCBFHDNKFLP-UHFFFAOYSA-N
MW612.77 g/mol
LogP13.20
Rot. Bonds3

About 11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran

11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran (PubChem CID 129254631) has the molecular formula C47H32O and a molecular weight of 612.77 g/mol. Its IUPAC name is 11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran.

Molecular Properties

Compound Name11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran
PubChem CID129254631
Molecular FormulaC47H32O
Molecular Weight612.77 g/mol
Exact Mass612.25
IUPAC Name11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2c1c(-c1ccccc1)c1c(oc3ccccc31)c2-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C47H32O/c1-47(2)37-27-15-13-25-35(37)42-44(46-43(36-26-14-16-28-38(36)48-46)40(45(42)47)30-19-7-4-8-20-30)41-33-23-11-9-21-31(33)39(29-17-5-3-6-18-29)32-22-10-12-24-34(32)41/h3-28H,1-2H3
InChIKeyWYHSCBFHDNKFLP-UHFFFAOYSA-N
XLogP13.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.77
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

18,18-dimethyl-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 130211729
18,18,21,21-tetramethyl-15-(10-phenylanthracen-9-yl)-24-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 139477794
7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
CID 122427509
6-[10-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163669126
15-[10-(4-tert-butylphenyl)anthracen-9-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
CID 139477793
24,24-dimethyl-20-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 130211867
24-tert-butyl-18,18,21,21-tetramethyl-15-(10-phenylanthracen-9-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 139477686
14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122426897
1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran
CID 145360755
3,3,34,34-tetramethyl-6,31-diphenyl-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene
CID 134556813
N-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-N-(2,6-diphenylphenyl)-18,18,21,21-tetramethyl-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-dodecaen-24-amine
CID 164801669
6-(9,9-dimethylfluoren-2-yl)-11-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran
CID 176777836

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran?
The IUPAC name of 11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran (CID 129254631) is 11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran.
What is the SMILES notation for 11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran?
The canonical SMILES for 11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran is CC1(C)c2ccccc2-c2c1c(-c1ccccc1)c1c(oc3ccccc31)c2-c1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran?
The InChIKey is WYHSCBFHDNKFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32O/c1-47(2)37-27-15-13-25-35(37)42-44(46-43(36-26-14-16-28-38(36)48-46)40(45(42)47)30-19-7-4-8-20-30)41-33-23-11-9-21-31(33)39(29-17-5-3-6-18-29)32-22-10-12-24-34(32)41/h3-28H,1-2H3.
What are the key properties of 11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran?
11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran has a molecular weight of 612.77 g/mol, XLogP of 13.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran is sourced from PubChem (CID 129254631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).