7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran

C47H32O — CID 122427509

IUPAC7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2c1c(-c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1)cc1c2oc2ccccc21
InChIInChI=1S/C47H32O/c1-47(2)40-22-12-10-21-37(40)44-45(47)38(28-39-32-16-11-13-23-41(32)48-46(39)44)29-24-26-31(27-25-29)43-35-19-8-6-17-33(35)42(30-14-4-3-5-15-30)34-18-7-9-20-36(34)43/h3-28H,1-2H3
InChIKeySXTAHZSHYKIVIW-UHFFFAOYSA-N
MW612.77 g/mol
LogP13.20
Rot. Bonds3

About 7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran

7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran (PubChem CID 122427509) has the molecular formula C47H32O and a molecular weight of 612.77 g/mol. Its IUPAC name is 7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran.

Molecular Properties

Compound Name7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
PubChem CID122427509
Molecular FormulaC47H32O
Molecular Weight612.77 g/mol
Exact Mass612.25
IUPAC Name7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2c1c(-c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1)cc1c2oc2ccccc21
InChIInChI=1S/C47H32O/c1-47(2)40-22-12-10-21-37(40)44-45(47)38(28-39-32-16-11-13-23-41(32)48-46(39)44)29-24-26-31(27-25-29)43-35-19-8-6-17-33(35)42(30-14-4-3-5-15-30)34-18-7-9-20-36(34)43/h3-28H,1-2H3
InChIKeySXTAHZSHYKIVIW-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

11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran
CID 129254631
15,15-dimethyl-19-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene
CID 130211730
9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130186143
14,14-dimethyl-12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-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 122426120
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
11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 134487897
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157312678
7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
CID 122415883
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
16,16-dimethyl-14-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12-oxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene
CID 130189541
3,3-dimethyl-11-(10-phenylanthracen-9-yl)-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1,4,6,8,10,12,14(23),15,17,19,21-undecaene
CID 130189300
11,11-dimethyl-6-(6-phenylpyren-1-yl)fluoreno[3,2-b][1]benzofuran
CID 169035157

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran?
The IUPAC name of 7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran (CID 122427509) is 7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran.
What is the SMILES notation for 7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran?
The canonical SMILES for 7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran is CC1(C)c2ccccc2-c2c1c(-c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1)cc1c2oc2ccccc21.
What is the InChIKey of 7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran?
The InChIKey is SXTAHZSHYKIVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32O/c1-47(2)40-22-12-10-21-37(40)44-45(47)38(28-39-32-16-11-13-23-41(32)48-46(39)44)29-24-26-31(27-25-29)43-35-19-8-6-17-33(35)42(30-14-4-3-5-15-30)34-18-7-9-20-36(34)43/h3-28H,1-2H3.
What are the key properties of 7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran?
7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-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-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran is sourced from PubChem (CID 122427509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).