7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran

C47H32O — CID 130189425

IUPAC7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran
SMILESCC1(C)c2cc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)ccc2-c2cc3c(cc21)oc1ccccc13
InChIInChI=1S/C47H32O/c1-47(2)41-26-31(23-24-33(41)39-27-40-34-17-10-11-22-43(34)48-44(40)28-42(39)47)30-15-12-16-32(25-30)46-37-20-8-6-18-35(37)45(29-13-4-3-5-14-29)36-19-7-9-21-38(36)46/h3-28H,1-2H3
InChIKeyQEJDUQARUTZVLB-UHFFFAOYSA-N
MW612.77 g/mol
LogP13.20
Rot. Bonds3

About 7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran

7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran (PubChem CID 130189425) has the molecular formula C47H32O and a molecular weight of 612.77 g/mol. Its IUPAC name is 7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran.

Molecular Properties

Compound Name7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran
PubChem CID130189425
Molecular FormulaC47H32O
Molecular Weight612.77 g/mol
Exact Mass612.25
IUPAC Name7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran
SMILESCC1(C)c2cc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)ccc2-c2cc3c(cc21)oc1ccccc13
InChIInChI=1S/C47H32O/c1-47(2)41-26-31(23-24-33(41)39-27-40-34-17-10-11-22-43(34)48-44(40)28-42(39)47)30-15-12-16-32(25-30)46-37-20-8-6-18-35(37)45(29-13-4-3-5-14-29)36-19-7-9-21-38(36)46/h3-28H,1-2H3
InChIKeyQEJDUQARUTZVLB-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

2-[10-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 144583239
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218012
16,16-dimethyl-20-[3-(10-phenylanthracen-9-yl)phenyl]-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene
CID 130211904
2-[3-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602744
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59196306
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427406
2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran
CID 163945775
2-dibenzofuran-2-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602383
1-[4-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;2-(10-phenylanthracen-9-yl)dibenzofuran
CID 158196418
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran?
The IUPAC name of 7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran (CID 130189425) is 7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran.
What is the SMILES notation for 7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran?
The canonical SMILES for 7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran is CC1(C)c2cc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)ccc2-c2cc3c(cc21)oc1ccccc13.
What is the InChIKey of 7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran?
The InChIKey is QEJDUQARUTZVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32O/c1-47(2)41-26-31(23-24-33(41)39-27-40-34-17-10-11-22-43(34)48-44(40)28-42(39)47)30-15-12-16-32(25-30)46-37-20-8-6-18-35(37)45(29-13-4-3-5-14-29)36-19-7-9-21-38(36)46/h3-28H,1-2H3.
What are the key properties of 7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran?
7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-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 7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran is sourced from PubChem (CID 130189425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).