7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran

C45H30O — CID 122415730

IUPAC7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc4ccccc34)c3ccccc13)c1c2oc2ccccc21
InChIInChI=1S/C45H30O/c1-45(2)37-24-11-9-21-34(37)43-38(45)26-36(42-35-22-10-12-25-39(35)46-44(42)43)41-32-19-7-5-17-30(32)40(31-18-6-8-20-33(31)41)29-23-13-15-27-14-3-4-16-28(27)29/h3-26H,1-2H3
InChIKeyQMTNFHNIAIUMQR-UHFFFAOYSA-N
MW586.73 g/mol
LogP12.69
Rot. Bonds2

About 7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran

7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran (PubChem CID 122415730) has the molecular formula C45H30O and a molecular weight of 586.73 g/mol. Its IUPAC name is 7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran.

Molecular Properties

Compound Name7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran
PubChem CID122415730
Molecular FormulaC45H30O
Molecular Weight586.73 g/mol
Exact Mass586.23
IUPAC Name7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc4ccccc34)c3ccccc13)c1c2oc2ccccc21
InChIInChI=1S/C45H30O/c1-45(2)37-24-11-9-21-34(37)43-38(45)26-36(42-35-22-10-12-25-39(35)46-44(42)43)41-32-19-7-5-17-30(32)40(31-18-6-8-20-33(31)41)29-23-13-15-27-14-3-4-16-28(27)29/h3-26H,1-2H3
InChIKeyQMTNFHNIAIUMQR-UHFFFAOYSA-N
XLogP12.69
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.73
LogP ≤ 512.69
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

17,17,34,34-tetramethyl-14,31-bis(4-naphthalen-1-ylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene
CID 142357653
6-(9,9-dimethylfluoren-2-yl)-11-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran
CID 176777836
2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-5-yl)-4-(9,9-dimethylfluoren-2-yl)-6-picen-4-yl-1,3,5-triazine
CID 176587100
6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777650
9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 130213201
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
N-(14,14-dimethyl-11-naphthalen-1-yl-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)-18,18,21,21-tetramethyl-N-(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-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
CID 146432345
1-(10-dibenzofuran-3-ylanthracen-9-yl)-4-naphthalen-2-yldibenzofuran;7,7-dimethyl-5-(10-phenanthren-9-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran
CID 159810135
5-bromo-7,7-dimethylfluoreno[4,3-b][1]benzofuran;7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 157381043
11,11-dimethyl-6-pyren-1-ylfluoreno[3,2-b][1]benzofuran
CID 169035279
7,7-dimethyl-5-[10-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]anthracen-9-yl]benzo[c]fluorene
CID 123322545
9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 134487924

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran?
The IUPAC name of 7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran (CID 122415730) is 7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran.
What is the SMILES notation for 7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran?
The canonical SMILES for 7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran is CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc4ccccc34)c3ccccc13)c1c2oc2ccccc21.
What is the InChIKey of 7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran?
The InChIKey is QMTNFHNIAIUMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30O/c1-45(2)37-24-11-9-21-34(37)43-38(45)26-36(42-35-22-10-12-25-39(35)46-44(42)43)41-32-19-7-5-17-30(32)40(31-18-6-8-20-33(31)41)29-23-13-15-27-14-3-4-16-28(27)29/h3-26H,1-2H3.
What are the key properties of 7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran?
7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran has a molecular weight of 586.73 g/mol, XLogP of 12.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran is sourced from PubChem (CID 122415730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).